USER MOD reduce.3.24.130724 H: found=0, std=0, add=1315, rem=0, adj=52 USER MOD reduce.3.24.130724 removed 1313 hydrogens (52 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 126 THR OG1 : rot 180:sc= 0.00445 USER MOD Set 1.2: A 145 MET CE :methyl -151:sc= -0.24 (180deg=-1.51!) USER MOD Set 2.1: A 68 LYS NZ :NH3+ 139:sc= 0.668 (180deg=-1.01) USER MOD Set 2.2: A 76 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -150:sc= -0.924 (180deg=-0.518) USER MOD Set 3.2: A 32 MET CE :methyl -111:sc= -2.65! (180deg=-5.51!) USER MOD Set 4.1: A 21 ASN : amide:sc= -3.26! C(o=-8.4!,f=-5.5!) USER MOD Set 4.2: A 99 TYR OH : rot 165:sc= -0.578 USER MOD Set 4.3: A 110 HIS : no HE2:sc= -4.09! C(o=-8.4!,f=-16!) USER MOD Set 4.4: A 142 MET CE :methyl -107:sc= -0.52 (180deg=-3.01!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0981 (180deg=-0.183) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 130:sc= -0.968 USER MOD Single : A 22 THR OG1 : rot -81:sc= -0.523! USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -0.212 (180deg=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ -156:sc= -0.957 (180deg=-1.66) USER MOD Single : A 34 MET CE :methyl -129:sc= -3.63! (180deg=-8.77!) USER MOD Single : A 36 MET CE :methyl -122:sc= -1.48 (180deg=-3.57!) USER MOD Single : A 40 SER OG : rot -28:sc= 0.367 USER MOD Single : A 48 LYS NZ :NH3+ 145:sc= -2.54! (180deg=-4.52!) USER MOD Single : A 50 SER OG : rot 12:sc= 0.292 USER MOD Single : A 51 TYR OH : rot 65:sc= 0.263 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= -2.45! (180deg=-3.03!) USER MOD Single : A 57 ASN : amide:sc= -0.823 X(o=-0.82,f=-1.3) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -44:sc= -0.481 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -144:sc= 0.577 (180deg=0.0892) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 70 SER OG : rot 15:sc= 0.988 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 37:sc= 0.422 USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= -0.0447 (180deg=-0.4) USER MOD Single : A 83 LYS NZ :NH3+ -139:sc= 0.0289 (180deg=-5.06!) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= -4.1! (180deg=-4.33!) USER MOD Single : A 90 THR OG1 : rot -140:sc= 0.192 USER MOD Single : A 92 TYR OH : rot 180:sc= -2.45! USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 109:sc= 0.129 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 20:sc= 0.975 USER MOD Single : A 104 LYS NZ :NH3+ 163:sc=-0.000462 (180deg=-0.154) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 MET CE :methyl 165:sc= -2.31 (180deg=-3.85) USER MOD Single : A 112 MET CE :methyl -134:sc= -1.45 (180deg=-3.05!) USER MOD Single : A 115 TYR OH : rot 70:sc= -1.79! USER MOD Single : A 116 SER OG : rot -149:sc= 1.7 USER MOD Single : A 118 SER OG : rot 180:sc= -0.637 USER MOD Single : A 122 SER OG : rot 180:sc= -0.23 USER MOD Single : A 131 LYS NZ :NH3+ -157:sc= -0.0787 (180deg=-0.712) USER MOD Single : A 137 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.456 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.573 USER MOD Single : A 149 GLN : amide:sc= -0.1 X(o=-0.1,f=-0.42) USER MOD Single : A 153 THR OG1 : rot 180:sc= 0 USER MOD Single : A 300 ACD O2 : rot 130:sc= -0.922 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.756 21.833 -22.445 1.00 0.00 N ATOM 2 CA MET A 1 -0.113 20.778 -23.039 1.00 52.33 C ATOM 3 C MET A 1 -1.486 20.822 -22.377 1.00 51.04 C ATOM 4 O MET A 1 -1.647 21.389 -21.296 1.00 30.31 O ATOM 5 CB MET A 1 0.529 19.407 -22.818 1.00 13.13 C ATOM 6 CG MET A 1 1.780 19.283 -23.690 1.00 61.45 C ATOM 7 SD MET A 1 2.471 17.618 -23.519 1.00 3.13 S ATOM 8 CE MET A 1 3.898 17.849 -24.606 1.00 53.23 C ATOM 0 H1 MET A 1 1.060 22.493 -23.190 1.00 0.00 H new ATOM 0 H2 MET A 1 0.224 22.353 -21.718 1.00 0.00 H new ATOM 0 H3 MET A 1 1.592 21.391 -22.012 1.00 0.00 H new ATOM 0 HA MET A 1 -0.225 20.953 -24.109 1.00 52.33 H new ATOM 0 HB2 MET A 1 0.791 19.281 -21.767 1.00 13.13 H new ATOM 0 HB3 MET A 1 -0.180 18.617 -23.066 1.00 13.13 H new ATOM 0 HG2 MET A 1 1.531 19.480 -24.733 1.00 61.45 H new ATOM 0 HG3 MET A 1 2.519 20.027 -23.393 1.00 61.45 H new ATOM 0 HE1 MET A 1 4.477 16.926 -24.648 1.00 53.23 H new ATOM 0 HE2 MET A 1 3.554 18.108 -25.608 1.00 53.23 H new ATOM 0 HE3 MET A 1 4.524 18.653 -24.219 1.00 53.23 H new ATOM 20 N THR A 2 -2.473 20.219 -23.032 1.00 3.32 N ATOM 21 CA THR A 2 -3.830 20.195 -22.499 1.00 31.51 C ATOM 22 C THR A 2 -3.860 19.511 -21.136 1.00 71.12 C ATOM 23 O THR A 2 -4.597 19.923 -20.240 1.00 74.10 O ATOM 24 CB THR A 2 -4.757 19.454 -23.464 1.00 64.55 C ATOM 25 OG1 THR A 2 -4.669 20.047 -24.752 1.00 52.22 O ATOM 26 CG2 THR A 2 -6.197 19.539 -22.958 1.00 22.21 C ATOM 0 H THR A 2 -2.360 19.743 -23.927 1.00 3.32 H new ATOM 0 HA THR A 2 -4.172 21.223 -22.384 1.00 31.51 H new ATOM 0 HB THR A 2 -4.458 18.408 -23.524 1.00 64.55 H new ATOM 0 HG1 THR A 2 -5.261 19.572 -25.372 1.00 52.22 H new ATOM 0 HG21 THR A 2 -6.856 19.011 -23.647 1.00 22.21 H new ATOM 0 HG22 THR A 2 -6.263 19.083 -21.970 1.00 22.21 H new ATOM 0 HG23 THR A 2 -6.500 20.584 -22.896 1.00 22.21 H new ATOM 34 N VAL A 3 -3.055 18.464 -20.984 1.00 51.41 N ATOM 35 CA VAL A 3 -3.000 17.731 -19.725 1.00 50.35 C ATOM 36 C VAL A 3 -2.404 18.609 -18.622 1.00 51.14 C ATOM 37 O VAL A 3 -1.574 19.475 -18.898 1.00 15.20 O ATOM 38 CB VAL A 3 -2.147 16.470 -19.897 1.00 31.51 C ATOM 39 CG1 VAL A 3 -2.933 15.423 -20.690 1.00 44.41 C ATOM 40 CG2 VAL A 3 -0.866 16.824 -20.654 1.00 4.21 C ATOM 0 H VAL A 3 -2.436 18.106 -21.712 1.00 51.41 H new ATOM 0 HA VAL A 3 -4.013 17.448 -19.440 1.00 50.35 H new ATOM 0 HB VAL A 3 -1.894 16.067 -18.917 1.00 31.51 H new ATOM 0 HG11 VAL A 3 -2.325 14.527 -20.812 1.00 44.41 H new ATOM 0 HG12 VAL A 3 -3.848 15.171 -20.153 1.00 44.41 H new ATOM 0 HG13 VAL A 3 -3.187 15.825 -21.671 1.00 44.41 H new ATOM 0 HG21 VAL A 3 -0.257 15.928 -20.778 1.00 4.21 H new ATOM 0 HG22 VAL A 3 -1.122 17.227 -21.634 1.00 4.21 H new ATOM 0 HG23 VAL A 3 -0.305 17.569 -20.091 1.00 4.21 H new ATOM 50 N PRO A 4 -2.803 18.405 -17.388 1.00 73.12 N ATOM 51 CA PRO A 4 -2.282 19.204 -16.238 1.00 12.34 C ATOM 52 C PRO A 4 -0.829 18.858 -15.911 1.00 15.51 C ATOM 53 O PRO A 4 -0.359 17.763 -16.218 1.00 74.25 O ATOM 54 CB PRO A 4 -3.216 18.823 -15.082 1.00 35.35 C ATOM 55 CG PRO A 4 -3.705 17.454 -15.422 1.00 23.14 C ATOM 56 CD PRO A 4 -3.788 17.398 -16.948 1.00 53.44 C ATOM 0 HA PRO A 4 -2.274 20.274 -16.447 1.00 12.34 H new ATOM 0 HB2 PRO A 4 -2.688 18.829 -14.128 1.00 35.35 H new ATOM 0 HB3 PRO A 4 -4.043 19.528 -14.993 1.00 35.35 H new ATOM 0 HG2 PRO A 4 -3.025 16.692 -15.041 1.00 23.14 H new ATOM 0 HG3 PRO A 4 -4.680 17.266 -14.972 1.00 23.14 H new ATOM 0 HD2 PRO A 4 -3.543 16.406 -17.326 1.00 53.44 H new ATOM 0 HD3 PRO A 4 -4.790 17.636 -17.304 1.00 53.44 H new ATOM 64 N ASP A 5 -0.127 19.799 -15.289 1.00 12.22 N ATOM 65 CA ASP A 5 1.269 19.582 -14.926 1.00 22.15 C ATOM 66 C ASP A 5 1.369 18.711 -13.678 1.00 22.21 C ATOM 67 O ASP A 5 0.646 18.920 -12.704 1.00 60.12 O ATOM 68 CB ASP A 5 1.956 20.924 -14.669 1.00 34.44 C ATOM 69 CG ASP A 5 2.007 21.740 -15.956 1.00 21.53 C ATOM 70 OD1 ASP A 5 1.764 21.168 -17.006 1.00 50.33 O ATOM 71 OD2 ASP A 5 2.289 22.924 -15.874 1.00 32.44 O ATOM 0 H ASP A 5 -0.498 20.712 -15.027 1.00 12.22 H new ATOM 0 HA ASP A 5 1.764 19.072 -15.752 1.00 22.15 H new ATOM 0 HB2 ASP A 5 1.416 21.476 -13.900 1.00 34.44 H new ATOM 0 HB3 ASP A 5 2.966 20.759 -14.293 1.00 34.44 H new ATOM 76 N ARG A 6 2.271 17.734 -13.715 1.00 61.24 N ATOM 77 CA ARG A 6 2.461 16.836 -12.580 1.00 11.45 C ATOM 78 C ARG A 6 3.395 17.471 -11.555 1.00 51.04 C ATOM 79 O ARG A 6 3.349 17.141 -10.369 1.00 22.12 O ATOM 80 CB ARG A 6 3.048 15.500 -13.058 1.00 11.40 C ATOM 81 CG ARG A 6 4.132 15.751 -14.124 1.00 43.01 C ATOM 82 CD ARG A 6 3.512 15.705 -15.529 1.00 14.15 C ATOM 83 NE ARG A 6 3.393 14.323 -15.982 1.00 25.21 N ATOM 84 CZ ARG A 6 2.600 14.000 -16.998 1.00 74.32 C ATOM 85 NH1 ARG A 6 1.911 14.926 -17.608 1.00 62.45 N ATOM 86 NH2 ARG A 6 2.511 12.758 -17.386 1.00 72.43 N ATOM 0 H ARG A 6 2.878 17.545 -14.513 1.00 61.24 H new ATOM 0 HA ARG A 6 1.493 16.655 -12.113 1.00 11.45 H new ATOM 0 HB2 ARG A 6 3.475 14.958 -12.214 1.00 11.40 H new ATOM 0 HB3 ARG A 6 2.258 14.874 -13.472 1.00 11.40 H new ATOM 0 HG2 ARG A 6 4.600 16.721 -13.956 1.00 43.01 H new ATOM 0 HG3 ARG A 6 4.917 14.999 -14.040 1.00 43.01 H new ATOM 0 HD2 ARG A 6 2.530 16.177 -15.517 1.00 14.15 H new ATOM 0 HD3 ARG A 6 4.129 16.272 -16.226 1.00 14.15 H new ATOM 0 HE ARG A 6 3.927 13.593 -15.511 1.00 25.21 H new ATOM 0 HH11 ARG A 6 1.982 15.897 -17.305 1.00 62.45 H new ATOM 0 HH12 ARG A 6 1.302 14.678 -18.388 1.00 62.45 H new ATOM 0 HH21 ARG A 6 3.050 12.035 -16.910 1.00 72.43 H new ATOM 0 HH22 ARG A 6 1.902 12.510 -18.166 1.00 72.43 H new ATOM 100 N SER A 7 4.240 18.381 -12.021 1.00 24.50 N ATOM 101 CA SER A 7 5.185 19.059 -11.144 1.00 15.21 C ATOM 102 C SER A 7 4.455 19.791 -10.021 1.00 62.44 C ATOM 103 O SER A 7 4.980 19.929 -8.916 1.00 0.01 O ATOM 104 CB SER A 7 6.016 20.060 -11.947 1.00 52.42 C ATOM 105 OG SER A 7 6.645 19.385 -13.030 1.00 23.24 O ATOM 0 H SER A 7 4.290 18.666 -12.999 1.00 24.50 H new ATOM 0 HA SER A 7 5.841 18.307 -10.704 1.00 15.21 H new ATOM 0 HB2 SER A 7 5.379 20.861 -12.323 1.00 52.42 H new ATOM 0 HB3 SER A 7 6.767 20.524 -11.307 1.00 52.42 H new ATOM 0 HG SER A 7 7.178 20.024 -13.549 1.00 23.24 H new ATOM 111 N GLU A 8 3.252 20.273 -10.314 1.00 55.43 N ATOM 112 CA GLU A 8 2.470 21.007 -9.325 1.00 74.40 C ATOM 113 C GLU A 8 2.193 20.153 -8.089 1.00 61.42 C ATOM 114 O GLU A 8 2.454 20.581 -6.965 1.00 24.35 O ATOM 115 CB GLU A 8 1.143 21.454 -9.946 1.00 43.14 C ATOM 116 CG GLU A 8 0.436 22.437 -9.011 1.00 42.40 C ATOM 117 CD GLU A 8 1.213 23.749 -8.946 1.00 53.01 C ATOM 118 OE1 GLU A 8 1.930 24.037 -9.891 1.00 42.34 O ATOM 119 OE2 GLU A 8 1.081 24.445 -7.952 1.00 45.21 O ATOM 0 H GLU A 8 2.799 20.170 -11.222 1.00 55.43 H new ATOM 0 HA GLU A 8 3.048 21.878 -9.015 1.00 74.40 H new ATOM 0 HB2 GLU A 8 1.324 21.924 -10.913 1.00 43.14 H new ATOM 0 HB3 GLU A 8 0.506 20.588 -10.127 1.00 43.14 H new ATOM 0 HG2 GLU A 8 -0.578 22.623 -9.365 1.00 42.40 H new ATOM 0 HG3 GLU A 8 0.351 22.006 -8.014 1.00 42.40 H new ATOM 126 N ILE A 9 1.662 18.950 -8.294 1.00 32.20 N ATOM 127 CA ILE A 9 1.360 18.067 -7.168 1.00 44.52 C ATOM 128 C ILE A 9 2.605 17.287 -6.742 1.00 71.22 C ATOM 129 O ILE A 9 2.735 16.909 -5.577 1.00 34.23 O ATOM 130 CB ILE A 9 0.221 17.089 -7.538 1.00 12.34 C ATOM 131 CG1 ILE A 9 0.386 15.774 -6.751 1.00 51.22 C ATOM 132 CG2 ILE A 9 0.273 16.790 -9.038 1.00 71.51 C ATOM 133 CD1 ILE A 9 -0.889 14.922 -6.815 1.00 22.25 C ATOM 0 H ILE A 9 1.435 18.568 -9.212 1.00 32.20 H new ATOM 0 HA ILE A 9 1.035 18.684 -6.331 1.00 44.52 H new ATOM 0 HB ILE A 9 -0.737 17.543 -7.287 1.00 12.34 H new ATOM 0 HG12 ILE A 9 1.225 15.208 -7.156 1.00 51.22 H new ATOM 0 HG13 ILE A 9 0.625 15.997 -5.711 1.00 51.22 H new ATOM 0 HG21 ILE A 9 -0.530 16.101 -9.300 1.00 71.51 H new ATOM 0 HG22 ILE A 9 0.152 17.717 -9.598 1.00 71.51 H new ATOM 0 HG23 ILE A 9 1.234 16.339 -9.286 1.00 71.51 H new ATOM 0 HD11 ILE A 9 -0.740 14.002 -6.250 1.00 22.25 H new ATOM 0 HD12 ILE A 9 -1.721 15.480 -6.386 1.00 22.25 H new ATOM 0 HD13 ILE A 9 -1.112 14.678 -7.854 1.00 22.25 H new ATOM 145 N ALA A 10 3.520 17.041 -7.675 1.00 72.21 N ATOM 146 CA ALA A 10 4.721 16.292 -7.321 1.00 65.35 C ATOM 147 C ALA A 10 5.623 17.136 -6.438 1.00 33.31 C ATOM 148 O ALA A 10 5.772 18.340 -6.649 1.00 3.55 O ATOM 149 CB ALA A 10 5.483 15.795 -8.555 1.00 40.42 C ATOM 0 H ALA A 10 3.459 17.337 -8.649 1.00 72.21 H new ATOM 0 HA ALA A 10 4.403 15.408 -6.768 1.00 65.35 H new ATOM 0 HB1 ALA A 10 6.368 15.244 -8.238 1.00 40.42 H new ATOM 0 HB2 ALA A 10 4.838 15.140 -9.141 1.00 40.42 H new ATOM 0 HB3 ALA A 10 5.785 16.647 -9.164 1.00 40.42 H new ATOM 155 N GLY A 11 6.215 16.492 -5.436 1.00 73.14 N ATOM 156 CA GLY A 11 7.098 17.171 -4.497 1.00 23.13 C ATOM 157 C GLY A 11 6.548 17.054 -3.077 1.00 62.21 C ATOM 158 O GLY A 11 7.310 16.965 -2.116 1.00 2.41 O ATOM 0 H GLY A 11 6.097 15.495 -5.254 1.00 73.14 H new ATOM 0 HA2 GLY A 11 8.096 16.736 -4.545 1.00 23.13 H new ATOM 0 HA3 GLY A 11 7.195 18.221 -4.772 1.00 23.13 H new ATOM 162 N LYS A 12 5.219 17.041 -2.951 1.00 50.22 N ATOM 163 CA LYS A 12 4.598 16.918 -1.635 1.00 64.23 C ATOM 164 C LYS A 12 3.114 16.553 -1.741 1.00 33.14 C ATOM 165 O LYS A 12 2.298 17.361 -2.184 1.00 23.54 O ATOM 166 CB LYS A 12 4.755 18.232 -0.865 1.00 54.11 C ATOM 167 CG LYS A 12 4.750 17.962 0.644 1.00 51.14 C ATOM 168 CD LYS A 12 4.900 19.287 1.410 1.00 1.44 C ATOM 169 CE LYS A 12 5.547 19.036 2.779 1.00 14.14 C ATOM 170 NZ LYS A 12 7.029 19.121 2.649 1.00 61.31 N ATOM 0 H LYS A 12 4.564 17.113 -3.730 1.00 50.22 H new ATOM 0 HA LYS A 12 5.102 16.113 -1.101 1.00 64.23 H new ATOM 0 HB2 LYS A 12 5.686 18.722 -1.152 1.00 54.11 H new ATOM 0 HB3 LYS A 12 3.944 18.913 -1.123 1.00 54.11 H new ATOM 0 HG2 LYS A 12 3.822 17.468 0.931 1.00 51.14 H new ATOM 0 HG3 LYS A 12 5.565 17.286 0.905 1.00 51.14 H new ATOM 0 HD2 LYS A 12 5.510 19.982 0.833 1.00 1.44 H new ATOM 0 HD3 LYS A 12 3.923 19.753 1.541 1.00 1.44 H new ATOM 0 HE2 LYS A 12 5.192 19.771 3.502 1.00 14.14 H new ATOM 0 HE3 LYS A 12 5.260 18.054 3.155 1.00 14.14 H new ATOM 0 HZ1 LYS A 12 7.469 18.951 3.576 1.00 61.31 H new ATOM 0 HZ2 LYS A 12 7.360 18.404 1.972 1.00 61.31 H new ATOM 0 HZ3 LYS A 12 7.294 20.067 2.308 1.00 61.31 H new ATOM 184 N TRP A 13 2.768 15.345 -1.298 1.00 70.35 N ATOM 185 CA TRP A 13 1.377 14.883 -1.306 1.00 13.43 C ATOM 186 C TRP A 13 0.930 14.727 0.148 1.00 24.03 C ATOM 187 O TRP A 13 1.625 14.085 0.936 1.00 52.23 O ATOM 188 CB TRP A 13 1.313 13.498 -1.985 1.00 71.25 C ATOM 189 CG TRP A 13 1.550 13.584 -3.436 1.00 54.10 C ATOM 190 CD1 TRP A 13 2.558 14.235 -4.040 1.00 2.22 C ATOM 191 CD2 TRP A 13 0.774 12.946 -4.481 1.00 25.22 C ATOM 192 NE1 TRP A 13 2.455 14.023 -5.390 1.00 24.14 N ATOM 193 CE2 TRP A 13 1.386 13.218 -5.707 1.00 45.02 C ATOM 194 CE3 TRP A 13 -0.381 12.148 -4.477 1.00 10.34 C ATOM 195 CZ2 TRP A 13 0.893 12.715 -6.901 1.00 1.41 C ATOM 196 CZ3 TRP A 13 -0.896 11.642 -5.681 1.00 62.30 C ATOM 197 CH2 TRP A 13 -0.253 11.919 -6.894 1.00 42.33 C ATOM 0 H TRP A 13 3.433 14.666 -0.928 1.00 70.35 H new ATOM 0 HA TRP A 13 0.741 15.590 -1.840 1.00 13.43 H new ATOM 0 HB2 TRP A 13 2.055 12.839 -1.535 1.00 71.25 H new ATOM 0 HB3 TRP A 13 0.336 13.050 -1.803 1.00 71.25 H new ATOM 0 HD1 TRP A 13 3.318 14.823 -3.547 1.00 2.22 H new ATOM 0 HE1 TRP A 13 3.096 14.416 -6.079 1.00 24.14 H new ATOM 0 HE3 TRP A 13 -0.875 11.922 -3.544 1.00 10.34 H new ATOM 0 HZ2 TRP A 13 1.393 12.938 -7.832 1.00 1.41 H new ATOM 0 HZ3 TRP A 13 -1.791 11.037 -5.672 1.00 62.30 H new ATOM 0 HH2 TRP A 13 -0.642 11.519 -7.819 1.00 42.33 H new ATOM 208 N TYR A 14 -0.194 15.334 0.528 1.00 55.13 N ATOM 209 CA TYR A 14 -0.653 15.261 1.921 1.00 3.33 C ATOM 210 C TYR A 14 -1.757 14.223 2.100 1.00 31.42 C ATOM 211 O TYR A 14 -2.817 14.326 1.497 1.00 34.32 O ATOM 212 CB TYR A 14 -1.178 16.650 2.350 1.00 20.12 C ATOM 213 CG TYR A 14 -0.239 17.304 3.342 1.00 42.10 C ATOM 214 CD1 TYR A 14 1.139 17.322 3.100 1.00 33.50 C ATOM 215 CD2 TYR A 14 -0.755 17.903 4.498 1.00 62.44 C ATOM 216 CE1 TYR A 14 2.000 17.936 4.015 1.00 51.12 C ATOM 217 CE2 TYR A 14 0.108 18.516 5.413 1.00 44.23 C ATOM 218 CZ TYR A 14 1.486 18.534 5.172 1.00 0.24 C ATOM 219 OH TYR A 14 2.337 19.139 6.073 1.00 12.22 O ATOM 0 H TYR A 14 -0.796 15.873 -0.094 1.00 55.13 H new ATOM 0 HA TYR A 14 0.190 14.960 2.543 1.00 3.33 H new ATOM 0 HB2 TYR A 14 -1.287 17.288 1.473 1.00 20.12 H new ATOM 0 HB3 TYR A 14 -2.168 16.547 2.795 1.00 20.12 H new ATOM 0 HD1 TYR A 14 1.537 16.862 2.208 1.00 33.50 H new ATOM 0 HD2 TYR A 14 -1.819 17.892 4.683 1.00 62.44 H new ATOM 0 HE1 TYR A 14 3.064 17.949 3.829 1.00 51.12 H new ATOM 0 HE2 TYR A 14 -0.290 18.975 6.306 1.00 44.23 H new ATOM 0 HH TYR A 14 1.817 19.505 6.819 1.00 12.22 H new ATOM 229 N VAL A 15 -1.507 13.259 2.985 1.00 31.05 N ATOM 230 CA VAL A 15 -2.494 12.222 3.300 1.00 33.51 C ATOM 231 C VAL A 15 -3.329 12.696 4.488 1.00 44.40 C ATOM 232 O VAL A 15 -2.772 13.160 5.482 1.00 12.25 O ATOM 233 CB VAL A 15 -1.781 10.910 3.646 1.00 30.14 C ATOM 234 CG1 VAL A 15 -2.813 9.857 4.057 1.00 11.52 C ATOM 235 CG2 VAL A 15 -0.998 10.413 2.425 1.00 55.14 C ATOM 0 H VAL A 15 -0.630 13.173 3.498 1.00 31.05 H new ATOM 0 HA VAL A 15 -3.140 12.046 2.440 1.00 33.51 H new ATOM 0 HB VAL A 15 -1.091 11.081 4.473 1.00 30.14 H new ATOM 0 HG11 VAL A 15 -2.304 8.925 4.303 1.00 11.52 H new ATOM 0 HG12 VAL A 15 -3.365 10.209 4.928 1.00 11.52 H new ATOM 0 HG13 VAL A 15 -3.506 9.686 3.233 1.00 11.52 H new ATOM 0 HG21 VAL A 15 -0.492 9.480 2.673 1.00 55.14 H new ATOM 0 HG22 VAL A 15 -1.685 10.244 1.596 1.00 55.14 H new ATOM 0 HG23 VAL A 15 -0.260 11.161 2.137 1.00 55.14 H new ATOM 245 N VAL A 16 -4.662 12.625 4.380 1.00 72.41 N ATOM 246 CA VAL A 16 -5.514 13.116 5.471 1.00 62.20 C ATOM 247 C VAL A 16 -6.732 12.252 5.742 1.00 74.34 C ATOM 248 O VAL A 16 -7.532 12.587 6.615 1.00 14.05 O ATOM 249 CB VAL A 16 -5.986 14.517 5.138 1.00 71.13 C ATOM 250 CG1 VAL A 16 -4.768 15.399 4.876 1.00 21.45 C ATOM 251 CG2 VAL A 16 -6.873 14.476 3.890 1.00 41.30 C ATOM 0 H VAL A 16 -5.162 12.245 3.576 1.00 72.41 H new ATOM 0 HA VAL A 16 -4.901 13.092 6.372 1.00 62.20 H new ATOM 0 HB VAL A 16 -6.562 14.922 5.970 1.00 71.13 H new ATOM 0 HG11 VAL A 16 -5.096 16.410 4.635 1.00 21.45 H new ATOM 0 HG12 VAL A 16 -4.139 15.424 5.766 1.00 21.45 H new ATOM 0 HG13 VAL A 16 -4.198 14.994 4.040 1.00 21.45 H new ATOM 0 HG21 VAL A 16 -7.212 15.484 3.651 1.00 41.30 H new ATOM 0 HG22 VAL A 16 -6.303 14.077 3.051 1.00 41.30 H new ATOM 0 HG23 VAL A 16 -7.736 13.838 4.078 1.00 41.30 H new ATOM 261 N ALA A 17 -6.843 11.119 5.075 1.00 31.30 N ATOM 262 CA ALA A 17 -7.953 10.210 5.351 1.00 63.12 C ATOM 263 C ALA A 17 -7.867 9.004 4.450 1.00 50.22 C ATOM 264 O ALA A 17 -7.527 9.125 3.273 1.00 25.22 O ATOM 265 CB ALA A 17 -9.312 10.899 5.141 1.00 40.12 C ATOM 0 H ALA A 17 -6.196 10.805 4.352 1.00 31.30 H new ATOM 0 HA ALA A 17 -7.877 9.904 6.395 1.00 63.12 H new ATOM 0 HB1 ALA A 17 -10.115 10.193 5.355 1.00 40.12 H new ATOM 0 HB2 ALA A 17 -9.393 11.755 5.811 1.00 40.12 H new ATOM 0 HB3 ALA A 17 -9.393 11.237 4.108 1.00 40.12 H new ATOM 271 N LEU A 18 -8.152 7.833 4.997 1.00 41.03 N ATOM 272 CA LEU A 18 -8.072 6.615 4.206 1.00 14.30 C ATOM 273 C LEU A 18 -9.121 5.609 4.668 1.00 1.41 C ATOM 274 O LEU A 18 -9.464 5.544 5.849 1.00 54.35 O ATOM 275 CB LEU A 18 -6.641 6.036 4.333 1.00 13.23 C ATOM 276 CG LEU A 18 -6.639 4.491 4.298 1.00 44.51 C ATOM 277 CD1 LEU A 18 -5.288 3.994 3.767 1.00 73.45 C ATOM 278 CD2 LEU A 18 -6.872 3.924 5.713 1.00 42.33 C ATOM 0 H LEU A 18 -8.436 7.700 5.968 1.00 41.03 H new ATOM 0 HA LEU A 18 -8.276 6.836 3.158 1.00 14.30 H new ATOM 0 HB2 LEU A 18 -6.021 6.418 3.522 1.00 13.23 H new ATOM 0 HB3 LEU A 18 -6.192 6.379 5.265 1.00 13.23 H new ATOM 0 HG LEU A 18 -7.441 4.151 3.643 1.00 44.51 H new ATOM 0 HD11 LEU A 18 -5.286 2.904 3.742 1.00 73.45 H new ATOM 0 HD12 LEU A 18 -5.128 4.381 2.760 1.00 73.45 H new ATOM 0 HD13 LEU A 18 -4.489 4.344 4.421 1.00 73.45 H new ATOM 0 HD21 LEU A 18 -6.868 2.835 5.674 1.00 42.33 H new ATOM 0 HD22 LEU A 18 -6.078 4.266 6.377 1.00 42.33 H new ATOM 0 HD23 LEU A 18 -7.835 4.270 6.090 1.00 42.33 H new ATOM 290 N ALA A 19 -9.618 4.822 3.717 1.00 72.11 N ATOM 291 CA ALA A 19 -10.615 3.804 4.012 1.00 31.11 C ATOM 292 C ALA A 19 -10.052 2.431 3.691 1.00 13.13 C ATOM 293 O ALA A 19 -9.067 2.308 2.966 1.00 23.53 O ATOM 294 CB ALA A 19 -11.885 4.036 3.192 1.00 4.41 C ATOM 0 H ALA A 19 -9.344 4.872 2.736 1.00 72.11 H new ATOM 0 HA ALA A 19 -10.866 3.863 5.071 1.00 31.11 H new ATOM 0 HB1 ALA A 19 -12.617 3.264 3.428 1.00 4.41 H new ATOM 0 HB2 ALA A 19 -12.300 5.015 3.433 1.00 4.41 H new ATOM 0 HB3 ALA A 19 -11.645 3.995 2.130 1.00 4.41 H new ATOM 300 N SER A 20 -10.674 1.404 4.244 1.00 62.30 N ATOM 301 CA SER A 20 -10.212 0.043 4.016 1.00 12.45 C ATOM 302 C SER A 20 -11.248 -0.964 4.476 1.00 24.04 C ATOM 303 O SER A 20 -12.300 -0.604 5.004 1.00 71.24 O ATOM 304 CB SER A 20 -8.902 -0.192 4.766 1.00 43.13 C ATOM 305 OG SER A 20 -9.139 -0.114 6.165 1.00 1.05 O ATOM 0 H SER A 20 -11.492 1.483 4.848 1.00 62.30 H new ATOM 0 HA SER A 20 -10.051 -0.089 2.946 1.00 12.45 H new ATOM 0 HB2 SER A 20 -8.493 -1.169 4.509 1.00 43.13 H new ATOM 0 HB3 SER A 20 -8.162 0.551 4.469 1.00 43.13 H new ATOM 0 HG SER A 20 -8.754 -0.900 6.606 1.00 1.05 H new ATOM 311 N ASN A 21 -10.918 -2.233 4.294 1.00 54.23 N ATOM 312 CA ASN A 21 -11.791 -3.323 4.713 1.00 53.10 C ATOM 313 C ASN A 21 -11.087 -4.113 5.802 1.00 74.32 C ATOM 314 O ASN A 21 -11.711 -4.876 6.541 1.00 11.43 O ATOM 315 CB ASN A 21 -12.109 -4.237 3.527 1.00 23.03 C ATOM 316 CG ASN A 21 -12.980 -3.498 2.519 1.00 70.51 C ATOM 317 OD1 ASN A 21 -13.426 -2.381 2.782 1.00 72.43 O ATOM 318 ND2 ASN A 21 -13.254 -4.057 1.373 1.00 32.42 N ATOM 0 H ASN A 21 -10.048 -2.536 3.857 1.00 54.23 H new ATOM 0 HA ASN A 21 -12.729 -2.917 5.092 1.00 53.10 H new ATOM 0 HB2 ASN A 21 -11.185 -4.564 3.051 1.00 23.03 H new ATOM 0 HB3 ASN A 21 -12.622 -5.133 3.875 1.00 23.03 H new ATOM 0 HD21 ASN A 21 -13.838 -3.569 0.694 1.00 32.42 H new ATOM 0 HD22 ASN A 21 -12.884 -4.982 1.156 1.00 32.42 H new ATOM 325 N THR A 22 -9.778 -3.896 5.909 1.00 11.02 N ATOM 326 CA THR A 22 -8.981 -4.562 6.926 1.00 40.13 C ATOM 327 C THR A 22 -9.057 -3.757 8.222 1.00 24.02 C ATOM 328 O THR A 22 -8.484 -2.675 8.339 1.00 72.43 O ATOM 329 CB THR A 22 -7.527 -4.715 6.453 1.00 71.12 C ATOM 330 OG1 THR A 22 -6.858 -5.642 7.296 1.00 52.53 O ATOM 331 CG2 THR A 22 -6.796 -3.370 6.499 1.00 44.44 C ATOM 0 H THR A 22 -9.252 -3.265 5.304 1.00 11.02 H new ATOM 0 HA THR A 22 -9.374 -5.563 7.106 1.00 40.13 H new ATOM 0 HB THR A 22 -7.529 -5.074 5.424 1.00 71.12 H new ATOM 0 HG1 THR A 22 -6.575 -5.191 8.119 1.00 52.53 H new ATOM 0 HG21 THR A 22 -5.769 -3.503 6.160 1.00 44.44 H new ATOM 0 HG22 THR A 22 -7.304 -2.658 5.849 1.00 44.44 H new ATOM 0 HG23 THR A 22 -6.795 -2.991 7.521 1.00 44.44 H new ATOM 339 N GLU A 23 -9.820 -4.273 9.171 1.00 50.22 N ATOM 340 CA GLU A 23 -10.028 -3.583 10.438 1.00 21.22 C ATOM 341 C GLU A 23 -8.732 -2.992 10.977 1.00 33.42 C ATOM 342 O GLU A 23 -8.751 -1.981 11.675 1.00 60.34 O ATOM 343 CB GLU A 23 -10.616 -4.552 11.465 1.00 55.34 C ATOM 344 CG GLU A 23 -10.964 -3.794 12.748 1.00 23.42 C ATOM 345 CD GLU A 23 -11.629 -4.736 13.746 1.00 42.13 C ATOM 346 OE1 GLU A 23 -11.718 -5.916 13.448 1.00 72.44 O ATOM 347 OE2 GLU A 23 -12.040 -4.264 14.793 1.00 64.13 O ATOM 0 H GLU A 23 -10.306 -5.166 9.091 1.00 50.22 H new ATOM 0 HA GLU A 23 -10.723 -2.763 10.260 1.00 21.22 H new ATOM 0 HB2 GLU A 23 -11.508 -5.030 11.060 1.00 55.34 H new ATOM 0 HB3 GLU A 23 -9.901 -5.345 11.682 1.00 55.34 H new ATOM 0 HG2 GLU A 23 -10.061 -3.367 13.184 1.00 23.42 H new ATOM 0 HG3 GLU A 23 -11.631 -2.963 12.520 1.00 23.42 H new ATOM 354 N PHE A 24 -7.613 -3.622 10.665 1.00 12.32 N ATOM 355 CA PHE A 24 -6.326 -3.140 11.147 1.00 62.34 C ATOM 356 C PHE A 24 -6.058 -1.683 10.744 1.00 43.04 C ATOM 357 O PHE A 24 -5.644 -0.877 11.577 1.00 34.23 O ATOM 358 CB PHE A 24 -5.201 -4.034 10.610 1.00 11.12 C ATOM 359 CG PHE A 24 -5.674 -5.470 10.541 1.00 35.23 C ATOM 360 CD1 PHE A 24 -6.366 -6.040 11.620 1.00 51.11 C ATOM 361 CD2 PHE A 24 -5.416 -6.235 9.397 1.00 74.23 C ATOM 362 CE1 PHE A 24 -6.799 -7.369 11.550 1.00 43.22 C ATOM 363 CE2 PHE A 24 -5.850 -7.564 9.329 1.00 62.52 C ATOM 364 CZ PHE A 24 -6.542 -8.131 10.405 1.00 60.21 C ATOM 0 H PHE A 24 -7.566 -4.460 10.086 1.00 12.32 H new ATOM 0 HA PHE A 24 -6.354 -3.181 12.236 1.00 62.34 H new ATOM 0 HB2 PHE A 24 -4.896 -3.694 9.620 1.00 11.12 H new ATOM 0 HB3 PHE A 24 -4.326 -3.961 11.256 1.00 11.12 H new ATOM 0 HD1 PHE A 24 -6.565 -5.453 12.505 1.00 51.11 H new ATOM 0 HD2 PHE A 24 -4.881 -5.799 8.566 1.00 74.23 H new ATOM 0 HE1 PHE A 24 -7.332 -7.807 12.381 1.00 43.22 H new ATOM 0 HE2 PHE A 24 -5.651 -8.152 8.445 1.00 62.52 H new ATOM 0 HZ PHE A 24 -6.878 -9.156 10.352 1.00 60.21 H new ATOM 374 N PHE A 25 -6.235 -1.357 9.462 1.00 4.22 N ATOM 375 CA PHE A 25 -5.943 -0.003 8.970 1.00 53.40 C ATOM 376 C PHE A 25 -6.943 1.060 9.450 1.00 44.12 C ATOM 377 O PHE A 25 -6.541 2.117 9.929 1.00 73.34 O ATOM 378 CB PHE A 25 -5.918 -0.021 7.427 1.00 14.51 C ATOM 379 CG PHE A 25 -4.790 0.839 6.881 1.00 12.54 C ATOM 380 CD1 PHE A 25 -4.432 2.040 7.511 1.00 75.12 C ATOM 381 CD2 PHE A 25 -4.107 0.428 5.730 1.00 23.01 C ATOM 382 CE1 PHE A 25 -3.394 2.822 6.991 1.00 44.54 C ATOM 383 CE2 PHE A 25 -3.071 1.212 5.212 1.00 21.51 C ATOM 384 CZ PHE A 25 -2.714 2.409 5.842 1.00 1.40 C ATOM 0 H PHE A 25 -6.576 -2.003 8.749 1.00 4.22 H new ATOM 0 HA PHE A 25 -4.973 0.277 9.380 1.00 53.40 H new ATOM 0 HB2 PHE A 25 -5.799 -1.046 7.075 1.00 14.51 H new ATOM 0 HB3 PHE A 25 -6.872 0.340 7.042 1.00 14.51 H new ATOM 0 HD1 PHE A 25 -4.958 2.362 8.398 1.00 75.12 H new ATOM 0 HD2 PHE A 25 -4.380 -0.496 5.241 1.00 23.01 H new ATOM 0 HE1 PHE A 25 -3.118 3.746 7.478 1.00 44.54 H new ATOM 0 HE2 PHE A 25 -2.546 0.893 4.324 1.00 21.51 H new ATOM 0 HZ PHE A 25 -1.914 3.013 5.441 1.00 1.40 H new ATOM 394 N LEU A 26 -8.239 0.793 9.329 1.00 51.21 N ATOM 395 CA LEU A 26 -9.227 1.782 9.763 1.00 24.04 C ATOM 396 C LEU A 26 -9.183 1.941 11.276 1.00 24.21 C ATOM 397 O LEU A 26 -9.296 3.050 11.804 1.00 34.11 O ATOM 398 CB LEU A 26 -10.642 1.400 9.295 1.00 11.33 C ATOM 399 CG LEU A 26 -10.959 -0.082 9.617 1.00 54.15 C ATOM 400 CD1 LEU A 26 -11.997 -0.165 10.743 1.00 52.55 C ATOM 401 CD2 LEU A 26 -11.530 -0.774 8.371 1.00 64.21 C ATOM 0 H LEU A 26 -8.625 -0.071 8.947 1.00 51.21 H new ATOM 0 HA LEU A 26 -8.975 2.738 9.304 1.00 24.04 H new ATOM 0 HB2 LEU A 26 -11.375 2.045 9.780 1.00 11.33 H new ATOM 0 HB3 LEU A 26 -10.731 1.568 8.222 1.00 11.33 H new ATOM 0 HG LEU A 26 -10.038 -0.575 9.928 1.00 54.15 H new ATOM 0 HD11 LEU A 26 -12.213 -1.211 10.962 1.00 52.55 H new ATOM 0 HD12 LEU A 26 -11.604 0.319 11.637 1.00 52.55 H new ATOM 0 HD13 LEU A 26 -12.913 0.337 10.431 1.00 52.55 H new ATOM 0 HD21 LEU A 26 -11.751 -1.816 8.603 1.00 64.21 H new ATOM 0 HD22 LEU A 26 -12.445 -0.269 8.061 1.00 64.21 H new ATOM 0 HD23 LEU A 26 -10.800 -0.729 7.563 1.00 64.21 H new ATOM 413 N ARG A 27 -8.997 0.827 11.962 1.00 34.32 N ATOM 414 CA ARG A 27 -8.917 0.851 13.414 1.00 64.22 C ATOM 415 C ARG A 27 -7.786 1.777 13.859 1.00 1.05 C ATOM 416 O ARG A 27 -7.965 2.608 14.749 1.00 3.25 O ATOM 417 CB ARG A 27 -8.674 -0.555 13.964 1.00 51.33 C ATOM 418 CG ARG A 27 -8.512 -0.488 15.484 1.00 52.22 C ATOM 419 CD ARG A 27 -8.620 -1.895 16.073 1.00 54.13 C ATOM 420 NE ARG A 27 -7.769 -2.819 15.332 1.00 14.32 N ATOM 421 CZ ARG A 27 -7.560 -4.058 15.765 1.00 52.13 C ATOM 422 NH1 ARG A 27 -8.118 -4.465 16.872 1.00 34.32 N ATOM 423 NH2 ARG A 27 -6.796 -4.867 15.083 1.00 70.23 N ATOM 0 H ARG A 27 -8.899 -0.098 11.543 1.00 34.32 H new ATOM 0 HA ARG A 27 -9.865 1.221 13.804 1.00 64.22 H new ATOM 0 HB2 ARG A 27 -9.508 -1.207 13.705 1.00 51.33 H new ATOM 0 HB3 ARG A 27 -7.781 -0.985 13.511 1.00 51.33 H new ATOM 0 HG2 ARG A 27 -7.547 -0.049 15.738 1.00 52.22 H new ATOM 0 HG3 ARG A 27 -9.278 0.157 15.914 1.00 52.22 H new ATOM 0 HD2 ARG A 27 -8.326 -1.881 17.123 1.00 54.13 H new ATOM 0 HD3 ARG A 27 -9.655 -2.234 16.036 1.00 54.13 H new ATOM 0 HE ARG A 27 -7.327 -2.509 14.467 1.00 14.32 H new ATOM 0 HH11 ARG A 27 -8.715 -3.832 17.405 1.00 34.32 H new ATOM 0 HH12 ARG A 27 -7.958 -5.416 17.204 1.00 34.32 H new ATOM 0 HH21 ARG A 27 -6.360 -4.548 14.218 1.00 70.23 H new ATOM 0 HH22 ARG A 27 -6.635 -5.818 15.415 1.00 70.23 H new ATOM 437 N GLU A 28 -6.613 1.606 13.251 1.00 12.43 N ATOM 438 CA GLU A 28 -5.450 2.411 13.614 1.00 52.20 C ATOM 439 C GLU A 28 -5.455 3.791 12.942 1.00 15.22 C ATOM 440 O GLU A 28 -5.113 4.794 13.574 1.00 34.35 O ATOM 441 CB GLU A 28 -4.170 1.661 13.225 1.00 33.00 C ATOM 442 CG GLU A 28 -2.992 2.166 14.065 1.00 20.23 C ATOM 443 CD GLU A 28 -3.102 1.638 15.491 1.00 43.21 C ATOM 444 OE1 GLU A 28 -3.805 0.662 15.689 1.00 1.12 O ATOM 445 OE2 GLU A 28 -2.479 2.218 16.366 1.00 0.13 O ATOM 0 H GLU A 28 -6.444 0.924 12.512 1.00 12.43 H new ATOM 0 HA GLU A 28 -5.490 2.573 14.691 1.00 52.20 H new ATOM 0 HB2 GLU A 28 -4.305 0.590 13.379 1.00 33.00 H new ATOM 0 HB3 GLU A 28 -3.961 1.807 12.165 1.00 33.00 H new ATOM 0 HG2 GLU A 28 -2.052 1.841 13.620 1.00 20.23 H new ATOM 0 HG3 GLU A 28 -2.981 3.256 14.072 1.00 20.23 H new ATOM 452 N LYS A 29 -5.834 3.875 11.671 1.00 53.01 N ATOM 453 CA LYS A 29 -5.830 5.174 11.007 1.00 53.24 C ATOM 454 C LYS A 29 -6.527 6.202 11.883 1.00 15.32 C ATOM 455 O LYS A 29 -6.226 7.392 11.829 1.00 61.42 O ATOM 456 CB LYS A 29 -6.543 5.083 9.650 1.00 64.24 C ATOM 457 CG LYS A 29 -6.318 6.374 8.844 1.00 14.12 C ATOM 458 CD LYS A 29 -4.999 6.283 8.063 1.00 44.31 C ATOM 459 CE LYS A 29 -4.784 7.568 7.255 1.00 43.22 C ATOM 460 NZ LYS A 29 -3.918 7.273 6.077 1.00 33.11 N ATOM 0 H LYS A 29 -6.138 3.089 11.096 1.00 53.01 H new ATOM 0 HA LYS A 29 -4.797 5.479 10.842 1.00 53.24 H new ATOM 0 HB2 LYS A 29 -6.168 4.226 9.090 1.00 64.24 H new ATOM 0 HB3 LYS A 29 -7.610 4.922 9.802 1.00 64.24 H new ATOM 0 HG2 LYS A 29 -7.148 6.532 8.155 1.00 14.12 H new ATOM 0 HG3 LYS A 29 -6.294 7.232 9.516 1.00 14.12 H new ATOM 0 HD2 LYS A 29 -4.168 6.132 8.752 1.00 44.31 H new ATOM 0 HD3 LYS A 29 -5.020 5.422 7.395 1.00 44.31 H new ATOM 0 HE2 LYS A 29 -5.743 7.968 6.925 1.00 43.22 H new ATOM 0 HE3 LYS A 29 -4.319 8.330 7.880 1.00 43.22 H new ATOM 0 HZ1 LYS A 29 -4.196 7.882 5.281 1.00 33.11 H new ATOM 0 HZ2 LYS A 29 -2.924 7.456 6.322 1.00 33.11 H new ATOM 0 HZ3 LYS A 29 -4.029 6.275 5.805 1.00 33.11 H new ATOM 474 N ASP A 30 -7.469 5.729 12.679 1.00 25.34 N ATOM 475 CA ASP A 30 -8.226 6.603 13.559 1.00 24.43 C ATOM 476 C ASP A 30 -7.354 7.219 14.652 1.00 2.55 C ATOM 477 O ASP A 30 -7.695 8.275 15.185 1.00 42.30 O ATOM 478 CB ASP A 30 -9.369 5.818 14.206 1.00 21.02 C ATOM 479 CG ASP A 30 -10.294 6.769 14.958 1.00 23.24 C ATOM 480 OD1 ASP A 30 -11.159 7.347 14.324 1.00 74.02 O ATOM 481 OD2 ASP A 30 -10.122 6.905 16.159 1.00 64.35 O ATOM 0 H ASP A 30 -7.729 4.744 12.735 1.00 25.34 H new ATOM 0 HA ASP A 30 -8.620 7.417 12.950 1.00 24.43 H new ATOM 0 HB2 ASP A 30 -9.930 5.280 13.442 1.00 21.02 H new ATOM 0 HB3 ASP A 30 -8.967 5.071 14.891 1.00 21.02 H new ATOM 486 N LYS A 31 -6.246 6.561 15.018 1.00 21.32 N ATOM 487 CA LYS A 31 -5.395 7.093 16.088 1.00 0.23 C ATOM 488 C LYS A 31 -4.242 7.960 15.576 1.00 11.45 C ATOM 489 O LYS A 31 -3.693 8.746 16.347 1.00 4.11 O ATOM 490 CB LYS A 31 -4.881 5.965 17.009 1.00 43.32 C ATOM 491 CG LYS A 31 -3.753 5.159 16.347 1.00 62.53 C ATOM 492 CD LYS A 31 -2.380 5.860 16.526 1.00 44.01 C ATOM 493 CE LYS A 31 -1.682 6.033 15.165 1.00 10.32 C ATOM 494 NZ LYS A 31 -0.812 4.851 14.907 1.00 12.43 N ATOM 0 H LYS A 31 -5.925 5.686 14.603 1.00 21.32 H new ATOM 0 HA LYS A 31 -6.031 7.755 16.676 1.00 0.23 H new ATOM 0 HB2 LYS A 31 -4.521 6.395 17.944 1.00 43.32 H new ATOM 0 HB3 LYS A 31 -5.705 5.298 17.261 1.00 43.32 H new ATOM 0 HG2 LYS A 31 -3.713 4.160 16.782 1.00 62.53 H new ATOM 0 HG3 LYS A 31 -3.966 5.036 15.285 1.00 62.53 H new ATOM 0 HD2 LYS A 31 -2.520 6.834 16.996 1.00 44.01 H new ATOM 0 HD3 LYS A 31 -1.749 5.272 17.193 1.00 44.01 H new ATOM 0 HE2 LYS A 31 -2.424 6.134 14.373 1.00 10.32 H new ATOM 0 HE3 LYS A 31 -1.086 6.946 15.162 1.00 10.32 H new ATOM 0 HZ1 LYS A 31 -0.000 5.138 14.324 1.00 12.43 H new ATOM 0 HZ2 LYS A 31 -0.470 4.467 15.811 1.00 12.43 H new ATOM 0 HZ3 LYS A 31 -1.357 4.121 14.405 1.00 12.43 H new ATOM 508 N MET A 32 -3.859 7.851 14.302 1.00 31.34 N ATOM 509 CA MET A 32 -2.751 8.691 13.804 1.00 70.41 C ATOM 510 C MET A 32 -3.228 10.092 13.444 1.00 62.31 C ATOM 511 O MET A 32 -4.404 10.424 13.574 1.00 70.22 O ATOM 512 CB MET A 32 -2.040 8.068 12.577 1.00 62.10 C ATOM 513 CG MET A 32 -3.048 7.458 11.592 1.00 13.23 C ATOM 514 SD MET A 32 -2.248 6.113 10.677 1.00 11.22 S ATOM 515 CE MET A 32 -2.297 4.874 11.994 1.00 23.44 C ATOM 0 H MET A 32 -4.274 7.220 13.616 1.00 31.34 H new ATOM 0 HA MET A 32 -2.035 8.752 14.623 1.00 70.41 H new ATOM 0 HB2 MET A 32 -1.451 8.832 12.070 1.00 62.10 H new ATOM 0 HB3 MET A 32 -1.344 7.298 12.910 1.00 62.10 H new ATOM 0 HG2 MET A 32 -3.918 7.081 12.130 1.00 13.23 H new ATOM 0 HG3 MET A 32 -3.407 8.221 10.901 1.00 13.23 H new ATOM 0 HE1 MET A 32 -1.285 4.680 12.349 1.00 23.44 H new ATOM 0 HE2 MET A 32 -2.906 5.244 12.819 1.00 23.44 H new ATOM 0 HE3 MET A 32 -2.730 3.951 11.609 1.00 23.44 H new ATOM 525 N LYS A 33 -2.278 10.905 12.986 1.00 42.12 N ATOM 526 CA LYS A 33 -2.551 12.285 12.588 1.00 30.03 C ATOM 527 C LYS A 33 -2.240 12.463 11.099 1.00 12.20 C ATOM 528 O LYS A 33 -1.789 11.523 10.444 1.00 73.25 O ATOM 529 CB LYS A 33 -1.690 13.244 13.409 1.00 20.23 C ATOM 530 CG LYS A 33 -1.821 12.916 14.899 1.00 61.45 C ATOM 531 CD LYS A 33 -0.795 13.731 15.697 1.00 71.34 C ATOM 532 CE LYS A 33 -1.251 13.851 17.153 1.00 23.54 C ATOM 533 NZ LYS A 33 -0.142 14.414 17.975 1.00 3.44 N ATOM 0 H LYS A 33 -1.302 10.628 12.881 1.00 42.12 H new ATOM 0 HA LYS A 33 -3.603 12.506 12.768 1.00 30.03 H new ATOM 0 HB2 LYS A 33 -0.647 13.165 13.101 1.00 20.23 H new ATOM 0 HB3 LYS A 33 -2.000 14.273 13.225 1.00 20.23 H new ATOM 0 HG2 LYS A 33 -2.829 13.143 15.245 1.00 61.45 H new ATOM 0 HG3 LYS A 33 -1.661 11.850 15.063 1.00 61.45 H new ATOM 0 HD2 LYS A 33 0.182 13.250 15.650 1.00 71.34 H new ATOM 0 HD3 LYS A 33 -0.683 14.722 15.258 1.00 71.34 H new ATOM 0 HE2 LYS A 33 -2.129 14.493 17.219 1.00 23.54 H new ATOM 0 HE3 LYS A 33 -1.542 12.873 17.536 1.00 23.54 H new ATOM 0 HZ1 LYS A 33 -0.268 14.132 18.968 1.00 3.44 H new ATOM 0 HZ2 LYS A 33 0.768 14.052 17.625 1.00 3.44 H new ATOM 0 HZ3 LYS A 33 -0.151 15.452 17.906 1.00 3.44 H new ATOM 547 N MET A 34 -2.472 13.656 10.559 1.00 41.31 N ATOM 548 CA MET A 34 -2.227 13.909 9.152 1.00 33.10 C ATOM 549 C MET A 34 -0.803 13.495 8.777 1.00 63.21 C ATOM 550 O MET A 34 0.140 13.686 9.545 1.00 52.35 O ATOM 551 CB MET A 34 -2.420 15.414 8.942 1.00 34.15 C ATOM 552 CG MET A 34 -1.893 15.862 7.581 1.00 52.42 C ATOM 553 SD MET A 34 -2.362 17.595 7.292 1.00 55.42 S ATOM 554 CE MET A 34 -4.172 17.429 7.330 1.00 62.44 C ATOM 0 H MET A 34 -2.829 14.459 11.078 1.00 41.31 H new ATOM 0 HA MET A 34 -2.907 13.334 8.523 1.00 33.10 H new ATOM 0 HB2 MET A 34 -3.479 15.661 9.022 1.00 34.15 H new ATOM 0 HB3 MET A 34 -1.904 15.961 9.731 1.00 34.15 H new ATOM 0 HG2 MET A 34 -0.809 15.757 7.546 1.00 52.42 H new ATOM 0 HG3 MET A 34 -2.301 15.227 6.794 1.00 52.42 H new ATOM 0 HE1 MET A 34 -4.599 17.898 6.444 1.00 62.44 H new ATOM 0 HE2 MET A 34 -4.440 16.373 7.346 1.00 62.44 H new ATOM 0 HE3 MET A 34 -4.563 17.917 8.223 1.00 62.44 H new ATOM 564 N ALA A 35 -0.676 12.890 7.592 1.00 21.44 N ATOM 565 CA ALA A 35 0.611 12.396 7.100 1.00 44.20 C ATOM 566 C ALA A 35 1.012 13.115 5.815 1.00 64.15 C ATOM 567 O ALA A 35 0.204 13.818 5.206 1.00 44.52 O ATOM 568 CB ALA A 35 0.522 10.883 6.852 1.00 54.02 C ATOM 0 H ALA A 35 -1.455 12.731 6.953 1.00 21.44 H new ATOM 0 HA ALA A 35 1.373 12.595 7.854 1.00 44.20 H new ATOM 0 HB1 ALA A 35 1.481 10.517 6.486 1.00 54.02 H new ATOM 0 HB2 ALA A 35 0.272 10.376 7.784 1.00 54.02 H new ATOM 0 HB3 ALA A 35 -0.251 10.681 6.110 1.00 54.02 H new ATOM 574 N MET A 36 2.274 12.947 5.417 1.00 5.10 N ATOM 575 CA MET A 36 2.789 13.596 4.210 1.00 73.22 C ATOM 576 C MET A 36 3.481 12.571 3.311 1.00 60.32 C ATOM 577 O MET A 36 3.851 11.483 3.751 1.00 53.43 O ATOM 578 CB MET A 36 3.780 14.723 4.585 1.00 61.43 C ATOM 579 CG MET A 36 4.058 14.707 6.092 1.00 31.25 C ATOM 580 SD MET A 36 2.599 15.307 6.983 1.00 13.52 S ATOM 581 CE MET A 36 3.138 14.875 8.659 1.00 33.51 C ATOM 0 H MET A 36 2.956 12.370 5.910 1.00 5.10 H new ATOM 0 HA MET A 36 1.950 14.032 3.668 1.00 73.22 H new ATOM 0 HB2 MET A 36 4.712 14.595 4.035 1.00 61.43 H new ATOM 0 HB3 MET A 36 3.369 15.690 4.294 1.00 61.43 H new ATOM 0 HG2 MET A 36 4.305 13.696 6.416 1.00 31.25 H new ATOM 0 HG3 MET A 36 4.920 15.334 6.320 1.00 31.25 H new ATOM 0 HE1 MET A 36 2.409 14.205 9.114 1.00 33.51 H new ATOM 0 HE2 MET A 36 4.108 14.379 8.613 1.00 33.51 H new ATOM 0 HE3 MET A 36 3.222 15.781 9.259 1.00 33.51 H new ATOM 591 N ALA A 37 3.638 12.939 2.043 1.00 51.34 N ATOM 592 CA ALA A 37 4.272 12.061 1.064 1.00 13.33 C ATOM 593 C ALA A 37 4.849 12.871 -0.091 1.00 20.11 C ATOM 594 O ALA A 37 4.481 14.022 -0.290 1.00 53.12 O ATOM 595 CB ALA A 37 3.240 11.070 0.522 1.00 24.41 C ATOM 0 H ALA A 37 3.335 13.838 1.669 1.00 51.34 H new ATOM 0 HA ALA A 37 5.083 11.522 1.554 1.00 13.33 H new ATOM 0 HB1 ALA A 37 3.714 10.415 -0.209 1.00 24.41 H new ATOM 0 HB2 ALA A 37 2.844 10.472 1.343 1.00 24.41 H new ATOM 0 HB3 ALA A 37 2.426 11.616 0.046 1.00 24.41 H new ATOM 601 N ARG A 38 5.758 12.264 -0.852 1.00 10.24 N ATOM 602 CA ARG A 38 6.365 12.961 -1.992 1.00 73.45 C ATOM 603 C ARG A 38 6.526 12.001 -3.165 1.00 34.33 C ATOM 604 O ARG A 38 6.916 10.851 -2.984 1.00 62.01 O ATOM 605 CB ARG A 38 7.713 13.599 -1.587 1.00 70.14 C ATOM 606 CG ARG A 38 8.887 12.599 -1.708 1.00 11.32 C ATOM 607 CD ARG A 38 9.592 12.748 -3.067 1.00 44.30 C ATOM 608 NE ARG A 38 10.873 12.051 -3.041 1.00 70.55 N ATOM 609 CZ ARG A 38 11.959 12.629 -2.536 1.00 72.44 C ATOM 610 NH1 ARG A 38 11.892 13.842 -2.059 1.00 51.41 N ATOM 611 NH2 ARG A 38 13.094 11.985 -2.519 1.00 42.02 N ATOM 0 H ARG A 38 6.088 11.310 -0.707 1.00 10.24 H new ATOM 0 HA ARG A 38 5.705 13.770 -2.307 1.00 73.45 H new ATOM 0 HB2 ARG A 38 7.908 14.466 -2.219 1.00 70.14 H new ATOM 0 HB3 ARG A 38 7.649 13.961 -0.561 1.00 70.14 H new ATOM 0 HG2 ARG A 38 9.601 12.770 -0.902 1.00 11.32 H new ATOM 0 HG3 ARG A 38 8.516 11.580 -1.595 1.00 11.32 H new ATOM 0 HD2 ARG A 38 8.963 12.342 -3.859 1.00 44.30 H new ATOM 0 HD3 ARG A 38 9.747 13.803 -3.292 1.00 44.30 H new ATOM 0 HE ARG A 38 10.937 11.105 -3.416 1.00 70.55 H new ATOM 0 HH11 ARG A 38 11.006 14.347 -2.073 1.00 51.41 H new ATOM 0 HH12 ARG A 38 12.725 14.285 -1.672 1.00 51.41 H new ATOM 0 HH21 ARG A 38 13.149 11.038 -2.893 1.00 42.02 H new ATOM 0 HH22 ARG A 38 13.927 12.429 -2.132 1.00 42.02 H new ATOM 625 N ILE A 39 6.179 12.463 -4.364 1.00 25.42 N ATOM 626 CA ILE A 39 6.236 11.649 -5.571 1.00 20.44 C ATOM 627 C ILE A 39 7.155 12.314 -6.588 1.00 41.22 C ATOM 628 O ILE A 39 7.203 13.542 -6.668 1.00 34.24 O ATOM 629 CB ILE A 39 4.831 11.564 -6.111 1.00 51.52 C ATOM 630 CG1 ILE A 39 4.676 10.553 -7.245 1.00 72.33 C ATOM 631 CG2 ILE A 39 4.432 12.907 -6.621 1.00 52.40 C ATOM 632 CD1 ILE A 39 3.212 10.089 -7.253 1.00 61.20 C ATOM 0 H ILE A 39 5.850 13.415 -4.524 1.00 25.42 H new ATOM 0 HA ILE A 39 6.626 10.653 -5.362 1.00 20.44 H new ATOM 0 HB ILE A 39 4.195 11.231 -5.291 1.00 51.52 H new ATOM 0 HG12 ILE A 39 4.940 11.006 -8.201 1.00 72.33 H new ATOM 0 HG13 ILE A 39 5.346 9.706 -7.098 1.00 72.33 H new ATOM 0 HG21 ILE A 39 3.417 12.860 -7.015 1.00 52.40 H new ATOM 0 HG22 ILE A 39 4.472 13.632 -5.808 1.00 52.40 H new ATOM 0 HG23 ILE A 39 5.115 13.213 -7.414 1.00 52.40 H new ATOM 0 HD11 ILE A 39 3.065 9.364 -8.053 1.00 61.20 H new ATOM 0 HD12 ILE A 39 2.972 9.627 -6.296 1.00 61.20 H new ATOM 0 HD13 ILE A 39 2.559 10.947 -7.416 1.00 61.20 H new ATOM 644 N SER A 40 7.875 11.530 -7.360 1.00 55.20 N ATOM 645 CA SER A 40 8.763 12.107 -8.356 1.00 63.41 C ATOM 646 C SER A 40 8.980 11.128 -9.500 1.00 50.51 C ATOM 647 O SER A 40 8.689 9.939 -9.370 1.00 24.20 O ATOM 648 CB SER A 40 10.078 12.499 -7.714 1.00 72.31 C ATOM 649 OG SER A 40 9.820 13.257 -6.539 1.00 21.15 O ATOM 0 H SER A 40 7.868 10.511 -7.323 1.00 55.20 H new ATOM 0 HA SER A 40 8.303 13.006 -8.766 1.00 63.41 H new ATOM 0 HB2 SER A 40 10.655 11.608 -7.466 1.00 72.31 H new ATOM 0 HB3 SER A 40 10.677 13.083 -8.413 1.00 72.31 H new ATOM 0 HG SER A 40 8.966 13.728 -6.634 1.00 21.15 H new ATOM 655 N PHE A 41 9.455 11.635 -10.634 1.00 13.21 N ATOM 656 CA PHE A 41 9.657 10.786 -11.804 1.00 73.23 C ATOM 657 C PHE A 41 11.105 10.335 -11.976 1.00 22.01 C ATOM 658 O PHE A 41 11.870 10.949 -12.719 1.00 31.42 O ATOM 659 CB PHE A 41 9.218 11.540 -13.061 1.00 43.55 C ATOM 660 CG PHE A 41 7.742 11.846 -12.976 1.00 32.33 C ATOM 661 CD1 PHE A 41 7.299 12.963 -12.259 1.00 3.33 C ATOM 662 CD2 PHE A 41 6.817 11.013 -13.618 1.00 22.43 C ATOM 663 CE1 PHE A 41 5.930 13.247 -12.180 1.00 21.03 C ATOM 664 CE2 PHE A 41 5.449 11.298 -13.541 1.00 14.24 C ATOM 665 CZ PHE A 41 5.005 12.415 -12.822 1.00 11.12 C ATOM 0 H PHE A 41 9.704 12.615 -10.768 1.00 13.21 H new ATOM 0 HA PHE A 41 9.055 9.890 -11.651 1.00 73.23 H new ATOM 0 HB2 PHE A 41 9.787 12.465 -13.160 1.00 43.55 H new ATOM 0 HB3 PHE A 41 9.425 10.941 -13.948 1.00 43.55 H new ATOM 0 HD1 PHE A 41 8.013 13.606 -11.766 1.00 3.33 H new ATOM 0 HD2 PHE A 41 7.159 10.151 -14.172 1.00 22.43 H new ATOM 0 HE1 PHE A 41 5.588 14.107 -11.624 1.00 21.03 H new ATOM 0 HE2 PHE A 41 4.735 10.656 -14.036 1.00 14.24 H new ATOM 0 HZ PHE A 41 3.949 12.634 -12.763 1.00 11.12 H new ATOM 675 N LEU A 42 11.458 9.225 -11.332 1.00 72.14 N ATOM 676 CA LEU A 42 12.803 8.680 -11.486 1.00 3.31 C ATOM 677 C LEU A 42 13.019 8.430 -12.970 1.00 2.14 C ATOM 678 O LEU A 42 14.095 8.659 -13.523 1.00 13.22 O ATOM 679 CB LEU A 42 12.945 7.349 -10.739 1.00 63.03 C ATOM 680 CG LEU A 42 12.980 7.572 -9.219 1.00 43.54 C ATOM 681 CD1 LEU A 42 12.565 6.273 -8.507 1.00 20.50 C ATOM 682 CD2 LEU A 42 14.398 7.964 -8.778 1.00 1.35 C ATOM 0 H LEU A 42 10.846 8.695 -10.711 1.00 72.14 H new ATOM 0 HA LEU A 42 13.533 9.380 -11.079 1.00 3.31 H new ATOM 0 HB2 LEU A 42 12.113 6.694 -10.995 1.00 63.03 H new ATOM 0 HB3 LEU A 42 13.857 6.845 -11.057 1.00 63.03 H new ATOM 0 HG LEU A 42 12.291 8.375 -8.958 1.00 43.54 H new ATOM 0 HD11 LEU A 42 12.588 6.426 -7.428 1.00 20.50 H new ATOM 0 HD12 LEU A 42 11.556 5.997 -8.813 1.00 20.50 H new ATOM 0 HD13 LEU A 42 13.257 5.474 -8.775 1.00 20.50 H new ATOM 0 HD21 LEU A 42 14.413 8.120 -7.699 1.00 1.35 H new ATOM 0 HD22 LEU A 42 15.094 7.167 -9.039 1.00 1.35 H new ATOM 0 HD23 LEU A 42 14.695 8.884 -9.282 1.00 1.35 H new ATOM 694 N GLY A 43 11.943 7.966 -13.589 1.00 24.41 N ATOM 695 CA GLY A 43 11.908 7.668 -15.013 1.00 32.34 C ATOM 696 C GLY A 43 10.460 7.432 -15.429 1.00 5.31 C ATOM 697 O GLY A 43 9.607 7.167 -14.582 1.00 55.24 O ATOM 0 H GLY A 43 11.060 7.784 -13.111 1.00 24.41 H new ATOM 0 HA2 GLY A 43 12.335 8.494 -15.582 1.00 32.34 H new ATOM 0 HA3 GLY A 43 12.512 6.786 -15.229 1.00 32.34 H new ATOM 701 N GLU A 44 10.172 7.534 -16.719 1.00 61.02 N ATOM 702 CA GLU A 44 8.804 7.328 -17.187 1.00 43.32 C ATOM 703 C GLU A 44 8.248 6.019 -16.638 1.00 4.12 C ATOM 704 O GLU A 44 7.050 5.905 -16.382 1.00 13.41 O ATOM 705 CB GLU A 44 8.766 7.305 -18.717 1.00 42.22 C ATOM 706 CG GLU A 44 9.281 8.639 -19.261 1.00 2.53 C ATOM 707 CD GLU A 44 8.332 9.765 -18.866 1.00 3.44 C ATOM 708 OE1 GLU A 44 7.189 9.471 -18.562 1.00 73.24 O ATOM 709 OE2 GLU A 44 8.764 10.907 -18.873 1.00 22.15 O ATOM 0 H GLU A 44 10.850 7.753 -17.449 1.00 61.02 H new ATOM 0 HA GLU A 44 8.188 8.153 -16.828 1.00 43.32 H new ATOM 0 HB2 GLU A 44 9.378 6.486 -19.094 1.00 42.22 H new ATOM 0 HB3 GLU A 44 7.748 7.128 -19.063 1.00 42.22 H new ATOM 0 HG2 GLU A 44 10.279 8.839 -18.870 1.00 2.53 H new ATOM 0 HG3 GLU A 44 9.368 8.589 -20.346 1.00 2.53 H new ATOM 716 N ASP A 45 9.127 5.039 -16.447 1.00 41.50 N ATOM 717 CA ASP A 45 8.717 3.741 -15.913 1.00 21.20 C ATOM 718 C ASP A 45 9.246 3.567 -14.494 1.00 63.11 C ATOM 719 O ASP A 45 9.297 2.453 -13.973 1.00 64.22 O ATOM 720 CB ASP A 45 9.244 2.614 -16.809 1.00 33.33 C ATOM 721 CG ASP A 45 10.585 3.011 -17.414 1.00 41.45 C ATOM 722 OD1 ASP A 45 11.234 3.878 -16.853 1.00 62.25 O ATOM 723 OD2 ASP A 45 10.946 2.441 -18.432 1.00 71.02 O ATOM 0 H ASP A 45 10.123 5.117 -16.652 1.00 41.50 H new ATOM 0 HA ASP A 45 7.628 3.698 -15.892 1.00 21.20 H new ATOM 0 HB2 ASP A 45 9.355 1.698 -16.228 1.00 33.33 H new ATOM 0 HB3 ASP A 45 8.526 2.403 -17.602 1.00 33.33 H new ATOM 728 N GLU A 46 9.634 4.677 -13.872 1.00 61.05 N ATOM 729 CA GLU A 46 10.154 4.635 -12.511 1.00 11.53 C ATOM 730 C GLU A 46 9.758 5.888 -11.740 1.00 61.35 C ATOM 731 O GLU A 46 10.146 6.998 -12.099 1.00 31.14 O ATOM 732 CB GLU A 46 11.679 4.520 -12.543 1.00 1.23 C ATOM 733 CG GLU A 46 12.086 3.347 -13.434 1.00 54.41 C ATOM 734 CD GLU A 46 13.583 3.084 -13.301 1.00 4.10 C ATOM 735 OE1 GLU A 46 14.348 3.809 -13.915 1.00 24.22 O ATOM 736 OE2 GLU A 46 13.940 2.161 -12.587 1.00 35.14 O ATOM 0 H GLU A 46 9.598 5.609 -14.286 1.00 61.05 H new ATOM 0 HA GLU A 46 9.728 3.766 -12.009 1.00 11.53 H new ATOM 0 HB2 GLU A 46 12.116 5.445 -12.920 1.00 1.23 H new ATOM 0 HB3 GLU A 46 12.064 4.374 -11.534 1.00 1.23 H new ATOM 0 HG2 GLU A 46 11.526 2.455 -13.153 1.00 54.41 H new ATOM 0 HG3 GLU A 46 11.838 3.566 -14.473 1.00 54.41 H new ATOM 743 N LEU A 47 8.987 5.698 -10.671 1.00 71.31 N ATOM 744 CA LEU A 47 8.541 6.813 -9.835 1.00 10.13 C ATOM 745 C LEU A 47 8.856 6.517 -8.374 1.00 4.12 C ATOM 746 O LEU A 47 8.733 5.378 -7.927 1.00 72.11 O ATOM 747 CB LEU A 47 7.028 7.028 -9.969 1.00 22.32 C ATOM 748 CG LEU A 47 6.579 6.886 -11.425 1.00 12.11 C ATOM 749 CD1 LEU A 47 5.056 6.847 -11.459 1.00 62.32 C ATOM 750 CD2 LEU A 47 7.066 8.080 -12.251 1.00 41.54 C ATOM 0 H LEU A 47 8.658 4.783 -10.363 1.00 71.31 H new ATOM 0 HA LEU A 47 9.063 7.711 -10.165 1.00 10.13 H new ATOM 0 HB2 LEU A 47 6.498 6.304 -9.349 1.00 22.32 H new ATOM 0 HB3 LEU A 47 6.764 8.019 -9.599 1.00 22.32 H new ATOM 0 HG LEU A 47 6.998 5.972 -11.846 1.00 12.11 H new ATOM 0 HD11 LEU A 47 4.718 6.746 -12.490 1.00 62.32 H new ATOM 0 HD12 LEU A 47 4.701 5.998 -10.876 1.00 62.32 H new ATOM 0 HD13 LEU A 47 4.659 7.770 -11.036 1.00 62.32 H new ATOM 0 HD21 LEU A 47 6.739 7.965 -13.284 1.00 41.54 H new ATOM 0 HD22 LEU A 47 6.652 9.000 -11.840 1.00 41.54 H new ATOM 0 HD23 LEU A 47 8.155 8.126 -12.218 1.00 41.54 H new ATOM 762 N LYS A 48 9.255 7.543 -7.632 1.00 22.02 N ATOM 763 CA LYS A 48 9.577 7.370 -6.217 1.00 31.55 C ATOM 764 C LYS A 48 8.483 7.984 -5.350 1.00 12.40 C ATOM 765 O LYS A 48 8.263 9.191 -5.400 1.00 65.42 O ATOM 766 CB LYS A 48 10.918 8.053 -5.912 1.00 74.40 C ATOM 767 CG LYS A 48 11.554 7.441 -4.658 1.00 43.45 C ATOM 768 CD LYS A 48 12.997 7.937 -4.527 1.00 31.23 C ATOM 769 CE LYS A 48 13.009 9.456 -4.337 1.00 60.11 C ATOM 770 NZ LYS A 48 14.308 9.870 -3.735 1.00 23.24 N ATOM 0 H LYS A 48 9.363 8.496 -7.980 1.00 22.02 H new ATOM 0 HA LYS A 48 9.648 6.305 -5.995 1.00 31.55 H new ATOM 0 HB2 LYS A 48 11.592 7.941 -6.761 1.00 74.40 H new ATOM 0 HB3 LYS A 48 10.764 9.122 -5.765 1.00 74.40 H new ATOM 0 HG2 LYS A 48 10.981 7.718 -3.773 1.00 43.45 H new ATOM 0 HG3 LYS A 48 11.536 6.353 -4.721 1.00 43.45 H new ATOM 0 HD2 LYS A 48 13.482 7.452 -3.680 1.00 31.23 H new ATOM 0 HD3 LYS A 48 13.566 7.668 -5.417 1.00 31.23 H new ATOM 0 HE2 LYS A 48 12.865 9.954 -5.296 1.00 60.11 H new ATOM 0 HE3 LYS A 48 12.184 9.759 -3.693 1.00 60.11 H new ATOM 0 HZ1 LYS A 48 14.589 10.795 -4.118 1.00 23.24 H new ATOM 0 HZ2 LYS A 48 14.206 9.939 -2.702 1.00 23.24 H new ATOM 0 HZ3 LYS A 48 15.037 9.165 -3.964 1.00 23.24 H new ATOM 784 N VAL A 49 7.819 7.156 -4.533 1.00 14.01 N ATOM 785 CA VAL A 49 6.768 7.656 -3.639 1.00 20.43 C ATOM 786 C VAL A 49 7.162 7.398 -2.197 1.00 3.24 C ATOM 787 O VAL A 49 7.747 6.368 -1.863 1.00 52.54 O ATOM 788 CB VAL A 49 5.394 7.042 -3.993 1.00 44.02 C ATOM 789 CG1 VAL A 49 4.533 6.799 -2.754 1.00 75.03 C ATOM 790 CG2 VAL A 49 4.637 8.015 -4.885 1.00 0.14 C ATOM 0 H VAL A 49 7.988 6.152 -4.473 1.00 14.01 H new ATOM 0 HA VAL A 49 6.665 8.733 -3.772 1.00 20.43 H new ATOM 0 HB VAL A 49 5.581 6.088 -4.486 1.00 44.02 H new ATOM 0 HG11 VAL A 49 3.578 6.367 -3.054 1.00 75.03 H new ATOM 0 HG12 VAL A 49 5.047 6.112 -2.083 1.00 75.03 H new ATOM 0 HG13 VAL A 49 4.358 7.745 -2.241 1.00 75.03 H new ATOM 0 HG21 VAL A 49 3.665 7.593 -5.142 1.00 0.14 H new ATOM 0 HG22 VAL A 49 4.495 8.958 -4.357 1.00 0.14 H new ATOM 0 HG23 VAL A 49 5.208 8.192 -5.797 1.00 0.14 H new ATOM 800 N SER A 50 6.896 8.394 -1.373 1.00 72.14 N ATOM 801 CA SER A 50 7.280 8.354 0.027 1.00 75.02 C ATOM 802 C SER A 50 6.109 8.595 0.966 1.00 4.34 C ATOM 803 O SER A 50 5.178 9.327 0.634 1.00 74.01 O ATOM 804 CB SER A 50 8.287 9.465 0.228 1.00 34.44 C ATOM 805 OG SER A 50 8.908 9.332 1.498 1.00 73.43 O ATOM 0 H SER A 50 6.412 9.247 -1.651 1.00 72.14 H new ATOM 0 HA SER A 50 7.677 7.365 0.256 1.00 75.02 H new ATOM 0 HB2 SER A 50 9.040 9.432 -0.560 1.00 34.44 H new ATOM 0 HB3 SER A 50 7.792 10.433 0.155 1.00 34.44 H new ATOM 0 HG SER A 50 8.685 8.458 1.881 1.00 73.43 H new ATOM 811 N TYR A 51 6.197 8.006 2.163 1.00 10.20 N ATOM 812 CA TYR A 51 5.167 8.190 3.182 1.00 41.44 C ATOM 813 C TYR A 51 5.797 8.701 4.474 1.00 60.13 C ATOM 814 O TYR A 51 6.801 8.160 4.940 1.00 44.53 O ATOM 815 CB TYR A 51 4.454 6.868 3.511 1.00 53.10 C ATOM 816 CG TYR A 51 4.261 6.026 2.275 1.00 1.24 C ATOM 817 CD1 TYR A 51 3.666 6.574 1.139 1.00 1.03 C ATOM 818 CD2 TYR A 51 4.655 4.681 2.280 1.00 14.40 C ATOM 819 CE1 TYR A 51 3.464 5.779 0.008 1.00 5.12 C ATOM 820 CE2 TYR A 51 4.458 3.889 1.146 1.00 23.14 C ATOM 821 CZ TYR A 51 3.861 4.439 0.009 1.00 5.10 C ATOM 822 OH TYR A 51 3.656 3.658 -1.110 1.00 41.31 O ATOM 0 H TYR A 51 6.968 7.401 2.446 1.00 10.20 H new ATOM 0 HA TYR A 51 4.448 8.905 2.783 1.00 41.44 H new ATOM 0 HB2 TYR A 51 5.036 6.311 4.245 1.00 53.10 H new ATOM 0 HB3 TYR A 51 3.486 7.078 3.965 1.00 53.10 H new ATOM 0 HD1 TYR A 51 3.362 7.610 1.134 1.00 1.03 H new ATOM 0 HD2 TYR A 51 5.112 4.256 3.162 1.00 14.40 H new ATOM 0 HE1 TYR A 51 2.999 6.202 -0.871 1.00 5.12 H new ATOM 0 HE2 TYR A 51 4.767 2.854 1.148 1.00 23.14 H new ATOM 0 HH TYR A 51 4.196 4.001 -1.852 1.00 41.31 H new ATOM 832 N ALA A 52 5.182 9.714 5.069 1.00 1.20 N ATOM 833 CA ALA A 52 5.664 10.262 6.334 1.00 61.54 C ATOM 834 C ALA A 52 4.516 10.238 7.333 1.00 33.01 C ATOM 835 O ALA A 52 3.550 10.988 7.191 1.00 4.12 O ATOM 836 CB ALA A 52 6.170 11.696 6.135 1.00 64.52 C ATOM 0 H ALA A 52 4.350 10.174 4.699 1.00 1.20 H new ATOM 0 HA ALA A 52 6.494 9.663 6.708 1.00 61.54 H new ATOM 0 HB1 ALA A 52 6.526 12.091 7.086 1.00 64.52 H new ATOM 0 HB2 ALA A 52 6.987 11.697 5.413 1.00 64.52 H new ATOM 0 HB3 ALA A 52 5.357 12.320 5.764 1.00 64.52 H new ATOM 842 N VAL A 53 4.606 9.352 8.325 1.00 1.11 N ATOM 843 CA VAL A 53 3.544 9.218 9.319 1.00 2.13 C ATOM 844 C VAL A 53 4.036 9.619 10.717 1.00 53.41 C ATOM 845 O VAL A 53 5.072 9.125 11.179 1.00 65.45 O ATOM 846 CB VAL A 53 3.068 7.761 9.352 1.00 3.43 C ATOM 847 CG1 VAL A 53 1.674 7.686 9.977 1.00 41.12 C ATOM 848 CG2 VAL A 53 3.017 7.212 7.924 1.00 53.35 C ATOM 0 H VAL A 53 5.397 8.722 8.460 1.00 1.11 H new ATOM 0 HA VAL A 53 2.726 9.881 9.040 1.00 2.13 H new ATOM 0 HB VAL A 53 3.761 7.168 9.949 1.00 3.43 H new ATOM 0 HG11 VAL A 53 1.340 6.649 9.998 1.00 41.12 H new ATOM 0 HG12 VAL A 53 1.710 8.077 10.994 1.00 41.12 H new ATOM 0 HG13 VAL A 53 0.977 8.279 9.385 1.00 41.12 H new ATOM 0 HG21 VAL A 53 2.679 6.176 7.944 1.00 53.35 H new ATOM 0 HG22 VAL A 53 2.325 7.808 7.330 1.00 53.35 H new ATOM 0 HG23 VAL A 53 4.011 7.260 7.480 1.00 53.35 H new ATOM 858 N PRO A 54 3.317 10.475 11.408 1.00 24.31 N ATOM 859 CA PRO A 54 3.702 10.899 12.781 1.00 4.44 C ATOM 860 C PRO A 54 3.336 9.834 13.807 1.00 44.22 C ATOM 861 O PRO A 54 2.658 8.858 13.485 1.00 43.31 O ATOM 862 CB PRO A 54 2.892 12.179 12.998 1.00 70.12 C ATOM 863 CG PRO A 54 1.658 11.986 12.181 1.00 63.40 C ATOM 864 CD PRO A 54 2.069 11.137 10.973 1.00 21.22 C ATOM 0 HA PRO A 54 4.775 11.053 12.893 1.00 4.44 H new ATOM 0 HB2 PRO A 54 2.652 12.322 14.051 1.00 70.12 H new ATOM 0 HB3 PRO A 54 3.448 13.059 12.675 1.00 70.12 H new ATOM 0 HG2 PRO A 54 0.882 11.487 12.761 1.00 63.40 H new ATOM 0 HG3 PRO A 54 1.250 12.945 11.861 1.00 63.40 H new ATOM 0 HD2 PRO A 54 1.299 10.409 10.717 1.00 21.22 H new ATOM 0 HD3 PRO A 54 2.232 11.753 10.089 1.00 21.22 H new ATOM 872 N LYS A 55 3.787 10.023 15.037 1.00 32.12 N ATOM 873 CA LYS A 55 3.500 9.065 16.093 1.00 22.13 C ATOM 874 C LYS A 55 3.745 9.696 17.462 1.00 34.53 C ATOM 875 O LYS A 55 4.859 9.651 17.966 1.00 63.23 O ATOM 876 CB LYS A 55 4.398 7.837 15.931 1.00 52.02 C ATOM 877 CG LYS A 55 4.165 6.873 17.096 1.00 33.05 C ATOM 878 CD LYS A 55 4.772 5.509 16.759 1.00 65.33 C ATOM 879 CE LYS A 55 4.744 4.617 18.002 1.00 43.42 C ATOM 880 NZ LYS A 55 5.122 3.226 17.623 1.00 50.10 N ATOM 0 H LYS A 55 4.348 10.824 15.327 1.00 32.12 H new ATOM 0 HA LYS A 55 2.454 8.767 16.022 1.00 22.13 H new ATOM 0 HB2 LYS A 55 4.183 7.339 14.985 1.00 52.02 H new ATOM 0 HB3 LYS A 55 5.444 8.141 15.901 1.00 52.02 H new ATOM 0 HG2 LYS A 55 4.616 7.269 18.006 1.00 33.05 H new ATOM 0 HG3 LYS A 55 3.097 6.770 17.289 1.00 33.05 H new ATOM 0 HD2 LYS A 55 4.213 5.040 15.949 1.00 65.33 H new ATOM 0 HD3 LYS A 55 5.797 5.632 16.409 1.00 65.33 H new ATOM 0 HE2 LYS A 55 5.434 5.001 18.754 1.00 43.42 H new ATOM 0 HE3 LYS A 55 3.749 4.627 18.447 1.00 43.42 H new ATOM 0 HZ1 LYS A 55 4.687 2.555 18.288 1.00 50.10 H new ATOM 0 HZ2 LYS A 55 4.787 3.025 16.659 1.00 50.10 H new ATOM 0 HZ3 LYS A 55 6.157 3.126 17.657 1.00 50.10 H new ATOM 894 N PRO A 56 2.748 10.284 18.074 1.00 52.11 N ATOM 895 CA PRO A 56 2.909 10.924 19.409 1.00 72.53 C ATOM 896 C PRO A 56 3.843 10.132 20.327 1.00 42.15 C ATOM 897 O PRO A 56 4.417 10.682 21.267 1.00 61.53 O ATOM 898 CB PRO A 56 1.480 10.953 19.948 1.00 62.43 C ATOM 899 CG PRO A 56 0.619 11.105 18.732 1.00 42.35 C ATOM 900 CD PRO A 56 1.363 10.415 17.578 1.00 12.24 C ATOM 0 HA PRO A 56 3.369 11.910 19.349 1.00 72.53 H new ATOM 0 HB2 PRO A 56 1.242 10.038 20.490 1.00 62.43 H new ATOM 0 HB3 PRO A 56 1.335 11.781 20.642 1.00 62.43 H new ATOM 0 HG2 PRO A 56 -0.359 10.649 18.890 1.00 42.35 H new ATOM 0 HG3 PRO A 56 0.448 12.158 18.508 1.00 42.35 H new ATOM 0 HD2 PRO A 56 0.928 9.443 17.347 1.00 12.24 H new ATOM 0 HD3 PRO A 56 1.321 11.008 16.664 1.00 12.24 H new ATOM 908 N ASN A 57 3.992 8.837 20.046 1.00 21.20 N ATOM 909 CA ASN A 57 4.861 7.971 20.848 1.00 5.00 C ATOM 910 C ASN A 57 6.163 7.665 20.105 1.00 71.00 C ATOM 911 O ASN A 57 6.813 6.653 20.369 1.00 41.55 O ATOM 912 CB ASN A 57 4.137 6.662 21.166 1.00 61.55 C ATOM 913 CG ASN A 57 4.930 5.863 22.194 1.00 51.04 C ATOM 914 OD1 ASN A 57 5.574 4.872 21.850 1.00 74.33 O ATOM 915 ND2 ASN A 57 4.922 6.238 23.444 1.00 63.44 N ATOM 0 H ASN A 57 3.525 8.365 19.272 1.00 21.20 H new ATOM 0 HA ASN A 57 5.103 8.493 21.774 1.00 5.00 H new ATOM 0 HB2 ASN A 57 3.139 6.873 21.549 1.00 61.55 H new ATOM 0 HB3 ASN A 57 4.012 6.076 20.256 1.00 61.55 H new ATOM 0 HD21 ASN A 57 5.450 5.710 24.138 1.00 63.44 H new ATOM 0 HD22 ASN A 57 4.388 7.060 23.727 1.00 63.44 H new ATOM 922 N GLY A 58 6.534 8.539 19.174 1.00 21.40 N ATOM 923 CA GLY A 58 7.756 8.352 18.393 1.00 65.22 C ATOM 924 C GLY A 58 7.631 9.003 17.016 1.00 22.03 C ATOM 925 O GLY A 58 6.816 9.902 16.814 1.00 54.50 O ATOM 0 H GLY A 58 6.009 9.382 18.941 1.00 21.40 H new ATOM 0 HA2 GLY A 58 8.603 8.783 18.927 1.00 65.22 H new ATOM 0 HA3 GLY A 58 7.959 7.287 18.279 1.00 65.22 H new ATOM 929 N CYS A 59 8.445 8.548 16.068 1.00 54.34 N ATOM 930 CA CYS A 59 8.416 9.094 14.711 1.00 51.21 C ATOM 931 C CYS A 59 8.680 7.995 13.685 1.00 31.45 C ATOM 932 O CYS A 59 9.602 7.196 13.855 1.00 44.11 O ATOM 933 CB CYS A 59 9.479 10.186 14.574 1.00 1.22 C ATOM 934 SG CYS A 59 9.239 11.075 13.017 1.00 70.24 S ATOM 0 H CYS A 59 9.130 7.806 16.211 1.00 54.34 H new ATOM 0 HA CYS A 59 7.428 9.516 14.526 1.00 51.21 H new ATOM 0 HB2 CYS A 59 9.414 10.878 15.413 1.00 1.22 H new ATOM 0 HB3 CYS A 59 10.475 9.744 14.602 1.00 1.22 H new ATOM 939 N ARG A 60 7.879 7.955 12.612 1.00 40.34 N ATOM 940 CA ARG A 60 8.070 6.937 11.575 1.00 42.44 C ATOM 941 C ARG A 60 8.066 7.569 10.185 1.00 63.14 C ATOM 942 O ARG A 60 7.035 8.040 9.707 1.00 64.13 O ATOM 943 CB ARG A 60 6.954 5.894 11.661 1.00 33.31 C ATOM 944 CG ARG A 60 7.089 5.109 12.967 1.00 55.20 C ATOM 945 CD ARG A 60 6.034 4.002 13.007 1.00 43.01 C ATOM 946 NE ARG A 60 6.055 3.332 14.302 1.00 23.22 N ATOM 947 CZ ARG A 60 7.035 2.495 14.628 1.00 44.41 C ATOM 948 NH1 ARG A 60 8.001 2.262 13.783 1.00 33.41 N ATOM 949 NH2 ARG A 60 7.029 1.907 15.793 1.00 34.22 N ATOM 0 H ARG A 60 7.109 8.602 12.442 1.00 40.34 H new ATOM 0 HA ARG A 60 9.036 6.459 11.739 1.00 42.44 H new ATOM 0 HB2 ARG A 60 5.981 6.383 11.617 1.00 33.31 H new ATOM 0 HB3 ARG A 60 7.009 5.216 10.809 1.00 33.31 H new ATOM 0 HG2 ARG A 60 8.087 4.678 13.043 1.00 55.20 H new ATOM 0 HG3 ARG A 60 6.964 5.776 13.820 1.00 55.20 H new ATOM 0 HD2 ARG A 60 5.046 4.425 12.824 1.00 43.01 H new ATOM 0 HD3 ARG A 60 6.224 3.280 12.213 1.00 43.01 H new ATOM 0 HE ARG A 60 5.304 3.509 14.970 1.00 23.22 H new ATOM 0 HH11 ARG A 60 8.004 2.722 12.873 1.00 33.41 H new ATOM 0 HH12 ARG A 60 8.753 1.620 14.033 1.00 33.41 H new ATOM 0 HH21 ARG A 60 6.273 2.090 16.453 1.00 34.22 H new ATOM 0 HH22 ARG A 60 7.781 1.265 16.044 1.00 34.22 H new ATOM 963 N LYS A 61 9.231 7.560 9.540 1.00 74.25 N ATOM 964 CA LYS A 61 9.371 8.118 8.194 1.00 1.21 C ATOM 965 C LYS A 61 10.200 7.182 7.316 1.00 72.44 C ATOM 966 O LYS A 61 11.257 6.708 7.732 1.00 43.24 O ATOM 967 CB LYS A 61 10.045 9.489 8.264 1.00 73.32 C ATOM 968 CG LYS A 61 11.441 9.347 8.874 1.00 34.44 C ATOM 969 CD LYS A 61 11.998 10.733 9.203 1.00 35.33 C ATOM 970 CE LYS A 61 13.462 10.608 9.627 1.00 45.45 C ATOM 971 NZ LYS A 61 13.922 11.898 10.215 1.00 23.33 N ATOM 0 H LYS A 61 10.092 7.173 9.926 1.00 74.25 H new ATOM 0 HA LYS A 61 8.378 8.227 7.757 1.00 1.21 H new ATOM 0 HB2 LYS A 61 10.116 9.921 7.266 1.00 73.32 H new ATOM 0 HB3 LYS A 61 9.443 10.171 8.865 1.00 73.32 H new ATOM 0 HG2 LYS A 61 11.395 8.738 9.777 1.00 34.44 H new ATOM 0 HG3 LYS A 61 12.103 8.833 8.177 1.00 34.44 H new ATOM 0 HD2 LYS A 61 11.915 11.386 8.334 1.00 35.33 H new ATOM 0 HD3 LYS A 61 11.415 11.190 10.002 1.00 35.33 H new ATOM 0 HE2 LYS A 61 13.573 9.804 10.355 1.00 45.45 H new ATOM 0 HE3 LYS A 61 14.079 10.347 8.767 1.00 45.45 H new ATOM 0 HZ1 LYS A 61 14.918 11.813 10.503 1.00 23.33 H new ATOM 0 HZ2 LYS A 61 13.830 12.654 9.507 1.00 23.33 H new ATOM 0 HZ3 LYS A 61 13.340 12.128 11.045 1.00 23.33 H new ATOM 985 N TRP A 62 9.725 6.920 6.101 1.00 45.33 N ATOM 986 CA TRP A 62 10.453 6.040 5.188 1.00 74.52 C ATOM 987 C TRP A 62 10.114 6.375 3.733 1.00 14.12 C ATOM 988 O TRP A 62 9.226 7.184 3.462 1.00 0.00 O ATOM 989 CB TRP A 62 10.144 4.565 5.530 1.00 72.22 C ATOM 990 CG TRP A 62 9.277 3.924 4.488 1.00 40.11 C ATOM 991 CD1 TRP A 62 8.024 4.317 4.163 1.00 73.32 C ATOM 992 CD2 TRP A 62 9.579 2.776 3.644 1.00 70.44 C ATOM 993 NE1 TRP A 62 7.538 3.481 3.173 1.00 14.14 N ATOM 994 CE2 TRP A 62 8.461 2.516 2.819 1.00 2.15 C ATOM 995 CE3 TRP A 62 10.706 1.943 3.517 1.00 11.01 C ATOM 996 CZ2 TRP A 62 8.459 1.465 1.899 1.00 14.44 C ATOM 997 CZ3 TRP A 62 10.708 0.886 2.591 1.00 24.14 C ATOM 998 CH2 TRP A 62 9.587 0.648 1.785 1.00 70.52 C ATOM 0 H TRP A 62 8.853 7.297 5.729 1.00 45.33 H new ATOM 0 HA TRP A 62 11.525 6.196 5.310 1.00 74.52 H new ATOM 0 HB2 TRP A 62 11.077 4.009 5.619 1.00 72.22 H new ATOM 0 HB3 TRP A 62 9.648 4.512 6.499 1.00 72.22 H new ATOM 0 HD1 TRP A 62 7.491 5.146 4.604 1.00 73.32 H new ATOM 0 HE1 TRP A 62 6.611 3.567 2.756 1.00 14.14 H new ATOM 0 HE3 TRP A 62 11.575 2.117 4.135 1.00 11.01 H new ATOM 0 HZ2 TRP A 62 7.592 1.285 1.280 1.00 14.44 H new ATOM 0 HZ3 TRP A 62 11.579 0.253 2.500 1.00 24.14 H new ATOM 0 HH2 TRP A 62 9.595 -0.167 1.076 1.00 70.52 H new ATOM 1009 N GLU A 63 10.842 5.754 2.803 1.00 12.11 N ATOM 1010 CA GLU A 63 10.630 5.997 1.374 1.00 40.41 C ATOM 1011 C GLU A 63 10.235 4.712 0.655 1.00 43.12 C ATOM 1012 O GLU A 63 10.417 3.612 1.178 1.00 43.41 O ATOM 1013 CB GLU A 63 11.913 6.559 0.755 1.00 23.13 C ATOM 1014 CG GLU A 63 11.654 6.970 -0.696 1.00 20.21 C ATOM 1015 CD GLU A 63 12.787 7.859 -1.193 1.00 53.42 C ATOM 1016 OE1 GLU A 63 13.898 7.366 -1.300 1.00 63.30 O ATOM 1017 OE2 GLU A 63 12.528 9.021 -1.461 1.00 2.33 O ATOM 0 H GLU A 63 11.580 5.082 3.012 1.00 12.11 H new ATOM 0 HA GLU A 63 9.819 6.717 1.262 1.00 40.41 H new ATOM 0 HB2 GLU A 63 12.258 7.419 1.330 1.00 23.13 H new ATOM 0 HB3 GLU A 63 12.704 5.811 0.794 1.00 23.13 H new ATOM 0 HG2 GLU A 63 11.573 6.084 -1.325 1.00 20.21 H new ATOM 0 HG3 GLU A 63 10.705 7.501 -0.769 1.00 20.21 H new ATOM 1024 N THR A 64 9.683 4.862 -0.548 1.00 42.12 N ATOM 1025 CA THR A 64 9.252 3.712 -1.340 1.00 71.14 C ATOM 1026 C THR A 64 9.391 4.003 -2.834 1.00 41.23 C ATOM 1027 O THR A 64 9.169 5.129 -3.278 1.00 12.21 O ATOM 1028 CB THR A 64 7.793 3.389 -1.014 1.00 35.44 C ATOM 1029 OG1 THR A 64 7.604 3.436 0.393 1.00 34.22 O ATOM 1030 CG2 THR A 64 7.442 1.993 -1.534 1.00 54.24 C ATOM 0 H THR A 64 9.524 5.765 -0.994 1.00 42.12 H new ATOM 0 HA THR A 64 9.884 2.859 -1.093 1.00 71.14 H new ATOM 0 HB THR A 64 7.144 4.122 -1.494 1.00 35.44 H new ATOM 0 HG1 THR A 64 8.348 2.980 0.838 1.00 34.22 H new ATOM 0 HG21 THR A 64 6.402 1.768 -1.299 1.00 54.24 H new ATOM 0 HG22 THR A 64 7.585 1.960 -2.614 1.00 54.24 H new ATOM 0 HG23 THR A 64 8.089 1.255 -1.060 1.00 54.24 H new ATOM 1038 N THR A 65 9.768 2.982 -3.605 1.00 41.52 N ATOM 1039 CA THR A 65 9.940 3.140 -5.052 1.00 24.34 C ATOM 1040 C THR A 65 8.785 2.493 -5.815 1.00 43.03 C ATOM 1041 O THR A 65 8.467 1.325 -5.596 1.00 10.41 O ATOM 1042 CB THR A 65 11.258 2.495 -5.488 1.00 43.01 C ATOM 1043 OG1 THR A 65 12.316 2.992 -4.681 1.00 31.24 O ATOM 1044 CG2 THR A 65 11.533 2.831 -6.955 1.00 44.02 C ATOM 0 H THR A 65 9.959 2.043 -3.256 1.00 41.52 H new ATOM 0 HA THR A 65 9.954 4.206 -5.279 1.00 24.34 H new ATOM 0 HB THR A 65 11.189 1.413 -5.372 1.00 43.01 H new ATOM 0 HG1 THR A 65 13.160 2.579 -4.958 1.00 31.24 H new ATOM 0 HG21 THR A 65 12.472 2.371 -7.264 1.00 44.02 H new ATOM 0 HG22 THR A 65 10.721 2.449 -7.574 1.00 44.02 H new ATOM 0 HG23 THR A 65 11.602 3.912 -7.074 1.00 44.02 H new ATOM 1052 N PHE A 66 8.160 3.260 -6.713 1.00 12.55 N ATOM 1053 CA PHE A 66 7.038 2.757 -7.509 1.00 53.42 C ATOM 1054 C PHE A 66 7.376 2.816 -8.996 1.00 14.12 C ATOM 1055 O PHE A 66 7.887 3.823 -9.481 1.00 11.14 O ATOM 1056 CB PHE A 66 5.793 3.618 -7.243 1.00 20.52 C ATOM 1057 CG PHE A 66 5.091 3.142 -5.995 1.00 41.12 C ATOM 1058 CD1 PHE A 66 5.625 3.436 -4.737 1.00 62.12 C ATOM 1059 CD2 PHE A 66 3.901 2.410 -6.098 1.00 51.21 C ATOM 1060 CE1 PHE A 66 4.970 2.998 -3.581 1.00 10.11 C ATOM 1061 CE2 PHE A 66 3.248 1.972 -4.942 1.00 13.11 C ATOM 1062 CZ PHE A 66 3.782 2.267 -3.684 1.00 21.23 C ATOM 0 H PHE A 66 8.412 4.229 -6.906 1.00 12.55 H new ATOM 0 HA PHE A 66 6.843 1.723 -7.226 1.00 53.42 H new ATOM 0 HB2 PHE A 66 6.081 4.663 -7.131 1.00 20.52 H new ATOM 0 HB3 PHE A 66 5.115 3.563 -8.095 1.00 20.52 H new ATOM 0 HD1 PHE A 66 6.542 4.001 -4.658 1.00 62.12 H new ATOM 0 HD2 PHE A 66 3.488 2.184 -7.070 1.00 51.21 H new ATOM 0 HE1 PHE A 66 5.382 3.224 -2.609 1.00 10.11 H new ATOM 0 HE2 PHE A 66 2.332 1.406 -5.021 1.00 13.11 H new ATOM 0 HZ PHE A 66 3.277 1.930 -2.791 1.00 21.23 H new ATOM 1072 N LYS A 67 7.086 1.732 -9.716 1.00 4.55 N ATOM 1073 CA LYS A 67 7.363 1.675 -11.154 1.00 22.14 C ATOM 1074 C LYS A 67 6.068 1.523 -11.942 1.00 51.00 C ATOM 1075 O LYS A 67 5.121 0.888 -11.481 1.00 74.14 O ATOM 1076 CB LYS A 67 8.277 0.490 -11.470 1.00 64.21 C ATOM 1077 CG LYS A 67 9.657 0.701 -10.834 1.00 74.21 C ATOM 1078 CD LYS A 67 10.696 -0.111 -11.607 1.00 73.23 C ATOM 1079 CE LYS A 67 12.028 -0.092 -10.853 1.00 12.53 C ATOM 1080 NZ LYS A 67 13.115 -0.569 -11.753 1.00 31.10 N ATOM 0 H LYS A 67 6.663 0.887 -9.332 1.00 4.55 H new ATOM 0 HA LYS A 67 7.854 2.605 -11.440 1.00 22.14 H new ATOM 0 HB2 LYS A 67 7.833 -0.432 -11.094 1.00 64.21 H new ATOM 0 HB3 LYS A 67 8.379 0.378 -12.549 1.00 64.21 H new ATOM 0 HG2 LYS A 67 9.920 1.759 -10.849 1.00 74.21 H new ATOM 0 HG3 LYS A 67 9.640 0.392 -9.789 1.00 74.21 H new ATOM 0 HD2 LYS A 67 10.351 -1.138 -11.731 1.00 73.23 H new ATOM 0 HD3 LYS A 67 10.826 0.304 -12.606 1.00 73.23 H new ATOM 0 HE2 LYS A 67 12.247 0.917 -10.505 1.00 12.53 H new ATOM 0 HE3 LYS A 67 11.967 -0.728 -9.970 1.00 12.53 H new ATOM 0 HZ1 LYS A 67 13.804 -1.121 -11.203 1.00 31.10 H new ATOM 0 HZ2 LYS A 67 12.709 -1.168 -12.500 1.00 31.10 H new ATOM 0 HZ3 LYS A 67 13.592 0.248 -12.185 1.00 31.10 H new ATOM 1094 N LYS A 68 6.027 2.125 -13.126 1.00 42.54 N ATOM 1095 CA LYS A 68 4.830 2.061 -13.959 1.00 11.20 C ATOM 1096 C LYS A 68 4.662 0.677 -14.574 1.00 14.51 C ATOM 1097 O LYS A 68 5.589 0.134 -15.176 1.00 52.12 O ATOM 1098 CB LYS A 68 4.908 3.109 -15.074 1.00 72.34 C ATOM 1099 CG LYS A 68 3.506 3.372 -15.631 1.00 60.01 C ATOM 1100 CD LYS A 68 3.598 4.350 -16.805 1.00 21.14 C ATOM 1101 CE LYS A 68 2.192 4.666 -17.317 1.00 14.22 C ATOM 1102 NZ LYS A 68 1.348 5.147 -16.187 1.00 41.20 N ATOM 0 H LYS A 68 6.799 2.657 -13.528 1.00 42.54 H new ATOM 0 HA LYS A 68 3.968 2.265 -13.324 1.00 11.20 H new ATOM 0 HB2 LYS A 68 5.336 4.034 -14.688 1.00 72.34 H new ATOM 0 HB3 LYS A 68 5.567 2.760 -15.869 1.00 72.34 H new ATOM 0 HG2 LYS A 68 3.052 2.437 -15.958 1.00 60.01 H new ATOM 0 HG3 LYS A 68 2.864 3.783 -14.851 1.00 60.01 H new ATOM 0 HD2 LYS A 68 4.096 5.267 -16.490 1.00 21.14 H new ATOM 0 HD3 LYS A 68 4.200 3.919 -17.605 1.00 21.14 H new ATOM 0 HE2 LYS A 68 2.240 5.425 -18.098 1.00 14.22 H new ATOM 0 HE3 LYS A 68 1.748 3.777 -17.764 1.00 14.22 H new ATOM 0 HZ1 LYS A 68 0.759 5.942 -16.508 1.00 41.20 H new ATOM 0 HZ2 LYS A 68 0.736 4.373 -15.857 1.00 41.20 H new ATOM 0 HZ3 LYS A 68 1.959 5.462 -15.407 1.00 41.20 H new ATOM 1116 N THR A 69 3.466 0.115 -14.422 1.00 33.34 N ATOM 1117 CA THR A 69 3.160 -1.207 -14.966 1.00 0.52 C ATOM 1118 C THR A 69 1.899 -1.144 -15.820 1.00 24.32 C ATOM 1119 O THR A 69 1.193 -0.135 -15.824 1.00 12.35 O ATOM 1120 CB THR A 69 2.953 -2.205 -13.825 1.00 72.31 C ATOM 1121 OG1 THR A 69 2.543 -3.456 -14.360 1.00 33.32 O ATOM 1122 CG2 THR A 69 1.877 -1.676 -12.873 1.00 43.53 C ATOM 0 H THR A 69 2.691 0.555 -13.926 1.00 33.34 H new ATOM 0 HA THR A 69 3.996 -1.533 -15.585 1.00 0.52 H new ATOM 0 HB THR A 69 3.887 -2.333 -13.279 1.00 72.31 H new ATOM 0 HG1 THR A 69 2.412 -4.097 -13.630 1.00 33.32 H new ATOM 0 HG21 THR A 69 1.729 -2.387 -12.060 1.00 43.53 H new ATOM 0 HG22 THR A 69 2.193 -0.717 -12.463 1.00 43.53 H new ATOM 0 HG23 THR A 69 0.941 -1.547 -13.417 1.00 43.53 H new ATOM 1130 N SER A 70 1.617 -2.226 -16.540 1.00 73.34 N ATOM 1131 CA SER A 70 0.431 -2.278 -17.391 1.00 21.14 C ATOM 1132 C SER A 70 -0.734 -2.903 -16.637 1.00 62.34 C ATOM 1133 O SER A 70 -1.813 -3.100 -17.193 1.00 33.02 O ATOM 1134 CB SER A 70 0.724 -3.090 -18.651 1.00 1.13 C ATOM 1135 OG SER A 70 -0.503 -3.491 -19.248 1.00 23.12 O ATOM 0 H SER A 70 2.187 -3.072 -16.552 1.00 73.34 H new ATOM 0 HA SER A 70 0.163 -1.260 -17.675 1.00 21.14 H new ATOM 0 HB2 SER A 70 1.306 -2.494 -19.354 1.00 1.13 H new ATOM 0 HB3 SER A 70 1.324 -3.965 -18.402 1.00 1.13 H new ATOM 0 HG SER A 70 -1.240 -2.973 -18.862 1.00 23.12 H new ATOM 1141 N ASP A 71 -0.482 -3.228 -15.372 1.00 22.24 N ATOM 1142 CA ASP A 71 -1.480 -3.857 -14.500 1.00 64.20 C ATOM 1143 C ASP A 71 -2.908 -3.652 -14.998 1.00 33.31 C ATOM 1144 O ASP A 71 -3.674 -4.611 -15.097 1.00 53.13 O ATOM 1145 CB ASP A 71 -1.357 -3.296 -13.082 1.00 73.54 C ATOM 1146 CG ASP A 71 -2.240 -4.095 -12.130 1.00 60.01 C ATOM 1147 OD1 ASP A 71 -1.772 -5.099 -11.620 1.00 13.14 O ATOM 1148 OD2 ASP A 71 -3.372 -3.689 -11.924 1.00 12.33 O ATOM 0 H ASP A 71 0.417 -3.065 -14.919 1.00 22.24 H new ATOM 0 HA ASP A 71 -1.278 -4.928 -14.507 1.00 64.20 H new ATOM 0 HB2 ASP A 71 -0.319 -3.340 -12.753 1.00 73.54 H new ATOM 0 HB3 ASP A 71 -1.651 -2.246 -13.070 1.00 73.54 H new ATOM 1153 N ASP A 72 -3.272 -2.410 -15.316 1.00 44.42 N ATOM 1154 CA ASP A 72 -4.620 -2.129 -15.802 1.00 32.43 C ATOM 1155 C ASP A 72 -4.748 -0.669 -16.215 1.00 74.41 C ATOM 1156 O ASP A 72 -5.151 0.182 -15.424 1.00 20.14 O ATOM 1157 CB ASP A 72 -5.648 -2.449 -14.717 1.00 3.42 C ATOM 1158 CG ASP A 72 -7.038 -2.000 -15.158 1.00 4.12 C ATOM 1159 OD1 ASP A 72 -7.183 -1.638 -16.314 1.00 4.42 O ATOM 1160 OD2 ASP A 72 -7.937 -2.027 -14.334 1.00 4.41 O ATOM 0 H ASP A 72 -2.663 -1.595 -15.247 1.00 44.42 H new ATOM 0 HA ASP A 72 -4.808 -2.758 -16.672 1.00 32.43 H new ATOM 0 HB2 ASP A 72 -5.651 -3.520 -14.514 1.00 3.42 H new ATOM 0 HB3 ASP A 72 -5.374 -1.949 -13.788 1.00 3.42 H new ATOM 1165 N GLY A 73 -4.411 -0.395 -17.468 1.00 74.51 N ATOM 1166 CA GLY A 73 -4.497 0.962 -17.996 1.00 13.45 C ATOM 1167 C GLY A 73 -3.311 1.812 -17.551 1.00 4.30 C ATOM 1168 O GLY A 73 -2.203 1.669 -18.069 1.00 13.04 O ATOM 0 H GLY A 73 -4.077 -1.090 -18.136 1.00 74.51 H new ATOM 0 HA2 GLY A 73 -4.533 0.928 -19.085 1.00 13.45 H new ATOM 0 HA3 GLY A 73 -5.425 1.426 -17.660 1.00 13.45 H new ATOM 1172 N GLU A 74 -3.550 2.688 -16.577 1.00 34.54 N ATOM 1173 CA GLU A 74 -2.498 3.559 -16.045 1.00 24.41 C ATOM 1174 C GLU A 74 -2.350 3.347 -14.542 1.00 21.41 C ATOM 1175 O GLU A 74 -3.047 3.985 -13.752 1.00 30.23 O ATOM 1176 CB GLU A 74 -2.845 5.023 -16.319 1.00 14.11 C ATOM 1177 CG GLU A 74 -2.852 5.272 -17.829 1.00 32.41 C ATOM 1178 CD GLU A 74 -3.151 6.740 -18.112 1.00 32.24 C ATOM 1179 OE1 GLU A 74 -3.538 7.435 -17.188 1.00 33.22 O ATOM 1180 OE2 GLU A 74 -2.989 7.149 -19.251 1.00 13.01 O ATOM 0 H GLU A 74 -4.462 2.815 -16.139 1.00 34.54 H new ATOM 0 HA GLU A 74 -1.558 3.310 -16.537 1.00 24.41 H new ATOM 0 HB2 GLU A 74 -3.821 5.262 -15.896 1.00 14.11 H new ATOM 0 HB3 GLU A 74 -2.119 5.677 -15.835 1.00 14.11 H new ATOM 0 HG2 GLU A 74 -1.887 5.000 -18.256 1.00 32.41 H new ATOM 0 HG3 GLU A 74 -3.601 4.641 -18.307 1.00 32.41 H new ATOM 1187 N VAL A 75 -1.461 2.441 -14.143 1.00 54.24 N ATOM 1188 CA VAL A 75 -1.257 2.151 -12.724 1.00 74.13 C ATOM 1189 C VAL A 75 0.222 2.053 -12.379 1.00 54.35 C ATOM 1190 O VAL A 75 1.041 1.654 -13.208 1.00 22.34 O ATOM 1191 CB VAL A 75 -1.950 0.843 -12.345 1.00 62.25 C ATOM 1192 CG1 VAL A 75 -1.832 0.624 -10.827 1.00 64.10 C ATOM 1193 CG2 VAL A 75 -3.427 0.908 -12.760 1.00 23.10 C ATOM 0 H VAL A 75 -0.874 1.898 -14.776 1.00 54.24 H new ATOM 0 HA VAL A 75 -1.690 2.976 -12.158 1.00 74.13 H new ATOM 0 HB VAL A 75 -1.474 0.009 -12.862 1.00 62.25 H new ATOM 0 HG11 VAL A 75 -2.326 -0.309 -10.554 1.00 64.10 H new ATOM 0 HG12 VAL A 75 -0.780 0.573 -10.548 1.00 64.10 H new ATOM 0 HG13 VAL A 75 -2.307 1.453 -10.302 1.00 64.10 H new ATOM 0 HG21 VAL A 75 -3.922 -0.025 -12.490 1.00 23.10 H new ATOM 0 HG22 VAL A 75 -3.913 1.738 -12.247 1.00 23.10 H new ATOM 0 HG23 VAL A 75 -3.496 1.057 -13.838 1.00 23.10 H new ATOM 1203 N TYR A 76 0.555 2.403 -11.137 1.00 20.31 N ATOM 1204 CA TYR A 76 1.937 2.340 -10.664 1.00 54.31 C ATOM 1205 C TYR A 76 2.037 1.290 -9.557 1.00 3.43 C ATOM 1206 O TYR A 76 1.051 1.013 -8.877 1.00 71.11 O ATOM 1207 CB TYR A 76 2.359 3.717 -10.160 1.00 25.33 C ATOM 1208 CG TYR A 76 1.967 4.738 -11.201 1.00 1.12 C ATOM 1209 CD1 TYR A 76 2.799 4.969 -12.304 1.00 73.11 C ATOM 1210 CD2 TYR A 76 0.762 5.438 -11.078 1.00 11.12 C ATOM 1211 CE1 TYR A 76 2.426 5.901 -13.280 1.00 11.35 C ATOM 1212 CE2 TYR A 76 0.391 6.372 -12.054 1.00 72.52 C ATOM 1213 CZ TYR A 76 1.223 6.603 -13.155 1.00 4.34 C ATOM 1214 OH TYR A 76 0.856 7.521 -14.117 1.00 23.33 O ATOM 0 H TYR A 76 -0.113 2.733 -10.441 1.00 20.31 H new ATOM 0 HA TYR A 76 2.606 2.053 -11.475 1.00 54.31 H new ATOM 0 HB2 TYR A 76 1.876 3.939 -9.209 1.00 25.33 H new ATOM 0 HB3 TYR A 76 3.435 3.745 -9.985 1.00 25.33 H new ATOM 0 HD1 TYR A 76 3.729 4.428 -12.402 1.00 73.11 H new ATOM 0 HD2 TYR A 76 0.117 5.258 -10.230 1.00 11.12 H new ATOM 0 HE1 TYR A 76 3.068 6.078 -14.130 1.00 11.35 H new ATOM 0 HE2 TYR A 76 -0.538 6.914 -11.957 1.00 72.52 H new ATOM 0 HH TYR A 76 -0.007 7.918 -13.878 1.00 23.33 H new ATOM 1224 N TYR A 77 3.223 0.705 -9.376 1.00 13.23 N ATOM 1225 CA TYR A 77 3.391 -0.319 -8.339 1.00 64.31 C ATOM 1226 C TYR A 77 4.837 -0.451 -7.864 1.00 23.13 C ATOM 1227 O TYR A 77 5.772 -0.373 -8.661 1.00 24.02 O ATOM 1228 CB TYR A 77 2.885 -1.675 -8.868 1.00 54.32 C ATOM 1229 CG TYR A 77 4.018 -2.462 -9.494 1.00 1.44 C ATOM 1230 CD1 TYR A 77 4.538 -2.076 -10.734 1.00 24.12 C ATOM 1231 CD2 TYR A 77 4.545 -3.578 -8.831 1.00 72.44 C ATOM 1232 CE1 TYR A 77 5.586 -2.804 -11.312 1.00 15.25 C ATOM 1233 CE2 TYR A 77 5.592 -4.306 -9.408 1.00 14.12 C ATOM 1234 CZ TYR A 77 6.113 -3.919 -10.649 1.00 23.33 C ATOM 1235 OH TYR A 77 7.144 -4.637 -11.219 1.00 34.21 O ATOM 0 H TYR A 77 4.062 0.914 -9.917 1.00 13.23 H new ATOM 0 HA TYR A 77 2.803 -0.006 -7.476 1.00 64.31 H new ATOM 0 HB2 TYR A 77 2.445 -2.248 -8.052 1.00 54.32 H new ATOM 0 HB3 TYR A 77 2.098 -1.513 -9.604 1.00 54.32 H new ATOM 0 HD1 TYR A 77 4.131 -1.216 -11.246 1.00 24.12 H new ATOM 0 HD2 TYR A 77 4.143 -3.877 -7.874 1.00 72.44 H new ATOM 0 HE1 TYR A 77 5.987 -2.505 -12.269 1.00 15.25 H new ATOM 0 HE2 TYR A 77 5.998 -5.166 -8.896 1.00 14.12 H new ATOM 0 HH TYR A 77 7.392 -5.378 -10.628 1.00 34.21 H new ATOM 1245 N SER A 78 5.009 -0.689 -6.562 1.00 34.12 N ATOM 1246 CA SER A 78 6.340 -0.876 -5.988 1.00 44.32 C ATOM 1247 C SER A 78 6.584 -2.365 -5.752 1.00 31.35 C ATOM 1248 O SER A 78 6.067 -2.948 -4.799 1.00 51.51 O ATOM 1249 CB SER A 78 6.445 -0.124 -4.662 1.00 72.53 C ATOM 1250 OG SER A 78 5.455 -0.615 -3.767 1.00 63.21 O ATOM 0 H SER A 78 4.246 -0.756 -5.889 1.00 34.12 H new ATOM 0 HA SER A 78 7.088 -0.487 -6.678 1.00 44.32 H new ATOM 0 HB2 SER A 78 7.438 -0.256 -4.233 1.00 72.53 H new ATOM 0 HB3 SER A 78 6.308 0.945 -4.824 1.00 72.53 H new ATOM 0 HG SER A 78 5.354 -1.582 -3.889 1.00 63.21 H new ATOM 1256 N GLU A 79 7.360 -2.972 -6.639 1.00 62.43 N ATOM 1257 CA GLU A 79 7.656 -4.399 -6.541 1.00 61.20 C ATOM 1258 C GLU A 79 8.322 -4.740 -5.209 1.00 63.04 C ATOM 1259 O GLU A 79 8.024 -5.768 -4.603 1.00 34.22 O ATOM 1260 CB GLU A 79 8.575 -4.816 -7.695 1.00 63.42 C ATOM 1261 CG GLU A 79 8.621 -6.343 -7.805 1.00 51.11 C ATOM 1262 CD GLU A 79 9.446 -6.929 -6.663 1.00 61.44 C ATOM 1263 OE1 GLU A 79 10.283 -6.214 -6.136 1.00 33.42 O ATOM 1264 OE2 GLU A 79 9.230 -8.083 -6.334 1.00 14.04 O ATOM 0 H GLU A 79 7.796 -2.503 -7.433 1.00 62.43 H new ATOM 0 HA GLU A 79 6.714 -4.944 -6.600 1.00 61.20 H new ATOM 0 HB2 GLU A 79 8.215 -4.387 -8.630 1.00 63.42 H new ATOM 0 HB3 GLU A 79 9.579 -4.425 -7.530 1.00 63.42 H new ATOM 0 HG2 GLU A 79 7.609 -6.748 -7.777 1.00 51.11 H new ATOM 0 HG3 GLU A 79 9.054 -6.633 -8.762 1.00 51.11 H new ATOM 1271 N GLU A 80 9.238 -3.885 -4.774 1.00 52.34 N ATOM 1272 CA GLU A 80 9.961 -4.119 -3.526 1.00 52.25 C ATOM 1273 C GLU A 80 9.026 -4.166 -2.317 1.00 12.04 C ATOM 1274 O GLU A 80 9.274 -4.909 -1.368 1.00 24.00 O ATOM 1275 CB GLU A 80 11.001 -3.016 -3.320 1.00 55.45 C ATOM 1276 CG GLU A 80 10.291 -1.673 -3.132 1.00 30.33 C ATOM 1277 CD GLU A 80 11.309 -0.537 -3.154 1.00 21.44 C ATOM 1278 OE1 GLU A 80 12.493 -0.831 -3.184 1.00 63.24 O ATOM 1279 OE2 GLU A 80 10.889 0.608 -3.140 1.00 35.03 O ATOM 0 H GLU A 80 9.499 -3.028 -5.261 1.00 52.34 H new ATOM 0 HA GLU A 80 10.448 -5.091 -3.607 1.00 52.25 H new ATOM 0 HB2 GLU A 80 11.616 -3.240 -2.448 1.00 55.45 H new ATOM 0 HB3 GLU A 80 11.671 -2.968 -4.179 1.00 55.45 H new ATOM 0 HG2 GLU A 80 9.555 -1.528 -3.922 1.00 30.33 H new ATOM 0 HG3 GLU A 80 9.749 -1.668 -2.186 1.00 30.33 H new ATOM 1286 N ALA A 81 7.967 -3.357 -2.336 1.00 65.34 N ATOM 1287 CA ALA A 81 7.028 -3.312 -1.209 1.00 42.10 C ATOM 1288 C ALA A 81 5.724 -4.047 -1.516 1.00 0.31 C ATOM 1289 O ALA A 81 4.934 -4.311 -0.610 1.00 12.34 O ATOM 1290 CB ALA A 81 6.716 -1.855 -0.862 1.00 60.53 C ATOM 0 H ALA A 81 7.737 -2.730 -3.107 1.00 65.34 H new ATOM 0 HA ALA A 81 7.503 -3.813 -0.365 1.00 42.10 H new ATOM 0 HB1 ALA A 81 6.019 -1.822 -0.025 1.00 60.53 H new ATOM 0 HB2 ALA A 81 7.637 -1.341 -0.587 1.00 60.53 H new ATOM 0 HB3 ALA A 81 6.270 -1.363 -1.726 1.00 60.53 H new ATOM 1296 N LYS A 82 5.487 -4.357 -2.787 1.00 21.31 N ATOM 1297 CA LYS A 82 4.254 -5.041 -3.173 1.00 52.21 C ATOM 1298 C LYS A 82 3.054 -4.159 -2.839 1.00 44.35 C ATOM 1299 O LYS A 82 2.180 -4.538 -2.053 1.00 2.02 O ATOM 1300 CB LYS A 82 4.134 -6.383 -2.446 1.00 74.04 C ATOM 1301 CG LYS A 82 5.462 -7.136 -2.541 1.00 42.22 C ATOM 1302 CD LYS A 82 5.296 -8.542 -1.961 1.00 33.13 C ATOM 1303 CE LYS A 82 6.641 -9.267 -1.985 1.00 64.01 C ATOM 1304 NZ LYS A 82 7.571 -8.625 -1.013 1.00 52.33 N ATOM 0 H LYS A 82 6.121 -4.150 -3.558 1.00 21.31 H new ATOM 0 HA LYS A 82 4.278 -5.231 -4.246 1.00 52.21 H new ATOM 0 HB2 LYS A 82 3.870 -6.220 -1.401 1.00 74.04 H new ATOM 0 HB3 LYS A 82 3.334 -6.978 -2.888 1.00 74.04 H new ATOM 0 HG2 LYS A 82 5.784 -7.196 -3.581 1.00 42.22 H new ATOM 0 HG3 LYS A 82 6.238 -6.596 -1.997 1.00 42.22 H new ATOM 0 HD2 LYS A 82 4.921 -8.483 -0.939 1.00 33.13 H new ATOM 0 HD3 LYS A 82 4.560 -9.100 -2.539 1.00 33.13 H new ATOM 0 HE2 LYS A 82 6.504 -10.318 -1.733 1.00 64.01 H new ATOM 0 HE3 LYS A 82 7.066 -9.233 -2.988 1.00 64.01 H new ATOM 0 HZ1 LYS A 82 8.336 -9.288 -0.775 1.00 52.33 H new ATOM 0 HZ2 LYS A 82 7.976 -7.766 -1.436 1.00 52.33 H new ATOM 0 HZ3 LYS A 82 7.050 -8.373 -0.149 1.00 52.33 H new ATOM 1318 N LYS A 83 3.026 -2.984 -3.462 1.00 4.20 N ATOM 1319 CA LYS A 83 1.946 -2.020 -3.259 1.00 70.41 C ATOM 1320 C LYS A 83 1.604 -1.331 -4.574 1.00 2.53 C ATOM 1321 O LYS A 83 2.490 -0.880 -5.298 1.00 64.44 O ATOM 1322 CB LYS A 83 2.368 -0.976 -2.222 1.00 33.14 C ATOM 1323 CG LYS A 83 1.272 0.082 -2.087 1.00 34.14 C ATOM 1324 CD LYS A 83 1.521 0.923 -0.830 1.00 35.04 C ATOM 1325 CE LYS A 83 0.744 2.239 -0.930 1.00 11.14 C ATOM 1326 NZ LYS A 83 0.699 2.893 0.408 1.00 33.21 N ATOM 0 H LYS A 83 3.744 -2.674 -4.117 1.00 4.20 H new ATOM 0 HA LYS A 83 1.065 -2.550 -2.897 1.00 70.41 H new ATOM 0 HB2 LYS A 83 2.546 -1.455 -1.259 1.00 33.14 H new ATOM 0 HB3 LYS A 83 3.305 -0.508 -2.523 1.00 33.14 H new ATOM 0 HG2 LYS A 83 1.260 0.723 -2.969 1.00 34.14 H new ATOM 0 HG3 LYS A 83 0.295 -0.398 -2.028 1.00 34.14 H new ATOM 0 HD2 LYS A 83 1.209 0.371 0.057 1.00 35.04 H new ATOM 0 HD3 LYS A 83 2.586 1.125 -0.721 1.00 35.04 H new ATOM 0 HE2 LYS A 83 1.220 2.900 -1.654 1.00 11.14 H new ATOM 0 HE3 LYS A 83 -0.268 2.050 -1.288 1.00 11.14 H new ATOM 0 HZ1 LYS A 83 -0.248 3.293 0.567 1.00 33.21 H new ATOM 0 HZ2 LYS A 83 0.907 2.190 1.145 1.00 33.21 H new ATOM 0 HZ3 LYS A 83 1.407 3.654 0.446 1.00 33.21 H new ATOM 1340 N LYS A 84 0.312 -1.293 -4.895 1.00 61.33 N ATOM 1341 CA LYS A 84 -0.146 -0.695 -6.150 1.00 15.13 C ATOM 1342 C LYS A 84 -1.176 0.398 -5.919 1.00 33.04 C ATOM 1343 O LYS A 84 -2.134 0.214 -5.169 1.00 5.31 O ATOM 1344 CB LYS A 84 -0.757 -1.799 -7.019 1.00 63.23 C ATOM 1345 CG LYS A 84 -0.936 -1.300 -8.449 1.00 1.24 C ATOM 1346 CD LYS A 84 -1.533 -2.420 -9.311 1.00 22.24 C ATOM 1347 CE LYS A 84 -2.938 -2.784 -8.810 1.00 73.10 C ATOM 1348 NZ LYS A 84 -2.834 -3.866 -7.790 1.00 24.43 N ATOM 0 H LYS A 84 -0.434 -1.667 -4.308 1.00 61.33 H new ATOM 0 HA LYS A 84 0.710 -0.236 -6.645 1.00 15.13 H new ATOM 0 HB2 LYS A 84 -0.113 -2.678 -7.010 1.00 63.23 H new ATOM 0 HB3 LYS A 84 -1.719 -2.105 -6.609 1.00 63.23 H new ATOM 0 HG2 LYS A 84 -1.590 -0.428 -8.462 1.00 1.24 H new ATOM 0 HG3 LYS A 84 0.024 -0.984 -8.858 1.00 1.24 H new ATOM 0 HD2 LYS A 84 -1.582 -2.101 -10.352 1.00 22.24 H new ATOM 0 HD3 LYS A 84 -0.888 -3.298 -9.277 1.00 22.24 H new ATOM 0 HE2 LYS A 84 -3.421 -1.907 -8.378 1.00 73.10 H new ATOM 0 HE3 LYS A 84 -3.560 -3.113 -9.643 1.00 73.10 H new ATOM 0 HZ1 LYS A 84 -3.787 -4.185 -7.524 1.00 24.43 H new ATOM 0 HZ2 LYS A 84 -2.299 -4.666 -8.185 1.00 24.43 H new ATOM 0 HZ3 LYS A 84 -2.343 -3.503 -6.948 1.00 24.43 H new ATOM 1362 N VAL A 85 -0.986 1.533 -6.602 1.00 54.21 N ATOM 1363 CA VAL A 85 -1.929 2.642 -6.493 1.00 33.14 C ATOM 1364 C VAL A 85 -2.267 3.177 -7.884 1.00 25.24 C ATOM 1365 O VAL A 85 -1.382 3.467 -8.689 1.00 41.14 O ATOM 1366 CB VAL A 85 -1.355 3.738 -5.560 1.00 5.13 C ATOM 1367 CG1 VAL A 85 -0.478 3.072 -4.499 1.00 50.04 C ATOM 1368 CG2 VAL A 85 -0.515 4.807 -6.310 1.00 32.55 C ATOM 0 H VAL A 85 -0.198 1.703 -7.227 1.00 54.21 H new ATOM 0 HA VAL A 85 -2.860 2.294 -6.045 1.00 33.14 H new ATOM 0 HB VAL A 85 -2.204 4.256 -5.114 1.00 5.13 H new ATOM 0 HG11 VAL A 85 -0.068 3.833 -3.836 1.00 50.04 H new ATOM 0 HG12 VAL A 85 -1.078 2.371 -3.919 1.00 50.04 H new ATOM 0 HG13 VAL A 85 0.338 2.537 -4.985 1.00 50.04 H new ATOM 0 HG21 VAL A 85 -0.144 5.544 -5.597 1.00 32.55 H new ATOM 0 HG22 VAL A 85 0.328 4.325 -6.806 1.00 32.55 H new ATOM 0 HG23 VAL A 85 -1.138 5.304 -7.054 1.00 32.55 H new ATOM 1378 N GLU A 86 -3.571 3.249 -8.168 1.00 74.44 N ATOM 1379 CA GLU A 86 -4.057 3.691 -9.480 1.00 64.25 C ATOM 1380 C GLU A 86 -4.995 4.877 -9.358 1.00 40.21 C ATOM 1381 O GLU A 86 -5.868 4.909 -8.492 1.00 1.22 O ATOM 1382 CB GLU A 86 -4.817 2.548 -10.157 1.00 73.23 C ATOM 1383 CG GLU A 86 -5.957 2.084 -9.248 1.00 21.42 C ATOM 1384 CD GLU A 86 -6.552 0.785 -9.781 1.00 24.03 C ATOM 1385 OE1 GLU A 86 -6.138 0.360 -10.847 1.00 20.02 O ATOM 1386 OE2 GLU A 86 -7.414 0.234 -9.114 1.00 42.40 O ATOM 0 H GLU A 86 -4.310 3.007 -7.507 1.00 74.44 H new ATOM 0 HA GLU A 86 -3.189 3.986 -10.070 1.00 64.25 H new ATOM 0 HB2 GLU A 86 -5.215 2.879 -11.116 1.00 73.23 H new ATOM 0 HB3 GLU A 86 -4.140 1.718 -10.362 1.00 73.23 H new ATOM 0 HG2 GLU A 86 -5.587 1.935 -8.234 1.00 21.42 H new ATOM 0 HG3 GLU A 86 -6.728 2.853 -9.196 1.00 21.42 H new ATOM 1393 N VAL A 87 -4.809 5.853 -10.236 1.00 1.04 N ATOM 1394 CA VAL A 87 -5.651 7.039 -10.212 1.00 71.31 C ATOM 1395 C VAL A 87 -7.120 6.670 -10.431 1.00 43.10 C ATOM 1396 O VAL A 87 -7.587 6.552 -11.565 1.00 5.40 O ATOM 1397 CB VAL A 87 -5.183 8.024 -11.297 1.00 4.05 C ATOM 1398 CG1 VAL A 87 -4.815 7.248 -12.565 1.00 21.34 C ATOM 1399 CG2 VAL A 87 -6.294 9.042 -11.618 1.00 45.42 C ATOM 0 H VAL A 87 -4.094 5.848 -10.963 1.00 1.04 H new ATOM 0 HA VAL A 87 -5.564 7.510 -9.233 1.00 71.31 H new ATOM 0 HB VAL A 87 -4.311 8.564 -10.929 1.00 4.05 H new ATOM 0 HG11 VAL A 87 -4.483 7.945 -13.335 1.00 21.34 H new ATOM 0 HG12 VAL A 87 -4.012 6.545 -12.341 1.00 21.34 H new ATOM 0 HG13 VAL A 87 -5.687 6.701 -12.923 1.00 21.34 H new ATOM 0 HG21 VAL A 87 -5.945 9.731 -12.387 1.00 45.42 H new ATOM 0 HG22 VAL A 87 -7.178 8.515 -11.977 1.00 45.42 H new ATOM 0 HG23 VAL A 87 -6.546 9.602 -10.717 1.00 45.42 H new ATOM 1409 N LEU A 88 -7.843 6.513 -9.327 1.00 5.13 N ATOM 1410 CA LEU A 88 -9.266 6.186 -9.376 1.00 14.04 C ATOM 1411 C LEU A 88 -10.050 7.493 -9.443 1.00 60.34 C ATOM 1412 O LEU A 88 -11.207 7.540 -9.857 1.00 4.54 O ATOM 1413 CB LEU A 88 -9.655 5.383 -8.119 1.00 42.12 C ATOM 1414 CG LEU A 88 -10.748 4.347 -8.437 1.00 42.32 C ATOM 1415 CD1 LEU A 88 -11.965 5.049 -9.046 1.00 72.52 C ATOM 1416 CD2 LEU A 88 -10.213 3.283 -9.417 1.00 14.00 C ATOM 0 H LEU A 88 -7.466 6.607 -8.384 1.00 5.13 H new ATOM 0 HA LEU A 88 -9.492 5.577 -10.252 1.00 14.04 H new ATOM 0 HB2 LEU A 88 -8.775 4.877 -7.721 1.00 42.12 H new ATOM 0 HB3 LEU A 88 -10.009 6.063 -7.345 1.00 42.12 H new ATOM 0 HG LEU A 88 -11.042 3.852 -7.511 1.00 42.32 H new ATOM 0 HD11 LEU A 88 -12.736 4.312 -9.270 1.00 72.52 H new ATOM 0 HD12 LEU A 88 -12.356 5.780 -8.338 1.00 72.52 H new ATOM 0 HD13 LEU A 88 -11.671 5.556 -9.965 1.00 72.52 H new ATOM 0 HD21 LEU A 88 -10.998 2.558 -9.631 1.00 14.00 H new ATOM 0 HD22 LEU A 88 -9.902 3.765 -10.344 1.00 14.00 H new ATOM 0 HD23 LEU A 88 -9.360 2.772 -8.970 1.00 14.00 H new ATOM 1428 N ASP A 89 -9.365 8.551 -9.044 1.00 63.45 N ATOM 1429 CA ASP A 89 -9.903 9.901 -9.041 1.00 52.10 C ATOM 1430 C ASP A 89 -8.796 10.812 -8.531 1.00 22.01 C ATOM 1431 O ASP A 89 -8.280 10.606 -7.432 1.00 32.14 O ATOM 1432 CB ASP A 89 -11.146 9.997 -8.135 1.00 0.24 C ATOM 1433 CG ASP A 89 -12.203 10.897 -8.773 1.00 3.14 C ATOM 1434 OD1 ASP A 89 -12.555 10.647 -9.914 1.00 3.45 O ATOM 1435 OD2 ASP A 89 -12.643 11.821 -8.110 1.00 22.13 O ATOM 0 H ASP A 89 -8.404 8.495 -8.708 1.00 63.45 H new ATOM 0 HA ASP A 89 -10.220 10.192 -10.042 1.00 52.10 H new ATOM 0 HB2 ASP A 89 -11.559 9.002 -7.968 1.00 0.24 H new ATOM 0 HB3 ASP A 89 -10.863 10.393 -7.160 1.00 0.24 H new ATOM 1440 N THR A 90 -8.397 11.794 -9.328 1.00 61.52 N ATOM 1441 CA THR A 90 -7.312 12.677 -8.919 1.00 2.42 C ATOM 1442 C THR A 90 -7.507 14.085 -9.480 1.00 13.23 C ATOM 1443 O THR A 90 -7.595 14.282 -10.692 1.00 1.21 O ATOM 1444 CB THR A 90 -5.974 12.052 -9.379 1.00 74.32 C ATOM 1445 OG1 THR A 90 -4.922 12.360 -8.465 1.00 32.24 O ATOM 1446 CG2 THR A 90 -5.599 12.551 -10.780 1.00 23.33 C ATOM 0 H THR A 90 -8.798 11.998 -10.243 1.00 61.52 H new ATOM 0 HA THR A 90 -7.304 12.779 -7.834 1.00 2.42 H new ATOM 0 HB THR A 90 -6.107 10.971 -9.407 1.00 74.32 H new ATOM 0 HG1 THR A 90 -4.101 12.554 -8.964 1.00 32.24 H new ATOM 0 HG21 THR A 90 -4.655 12.100 -11.086 1.00 23.33 H new ATOM 0 HG22 THR A 90 -6.380 12.272 -11.487 1.00 23.33 H new ATOM 0 HG23 THR A 90 -5.495 13.636 -10.764 1.00 23.33 H new ATOM 1454 N ASP A 91 -7.552 15.058 -8.580 1.00 74.13 N ATOM 1455 CA ASP A 91 -7.712 16.452 -8.977 1.00 21.22 C ATOM 1456 C ASP A 91 -6.357 17.011 -9.376 1.00 33.12 C ATOM 1457 O ASP A 91 -6.254 17.887 -10.234 1.00 15.43 O ATOM 1458 CB ASP A 91 -8.278 17.269 -7.821 1.00 40.13 C ATOM 1459 CG ASP A 91 -8.701 18.649 -8.314 1.00 21.25 C ATOM 1460 OD1 ASP A 91 -8.232 19.049 -9.367 1.00 51.45 O ATOM 1461 OD2 ASP A 91 -9.486 19.285 -7.631 1.00 24.44 O ATOM 0 H ASP A 91 -7.480 14.910 -7.573 1.00 74.13 H new ATOM 0 HA ASP A 91 -8.403 16.509 -9.818 1.00 21.22 H new ATOM 0 HB2 ASP A 91 -9.133 16.752 -7.384 1.00 40.13 H new ATOM 0 HB3 ASP A 91 -7.530 17.368 -7.035 1.00 40.13 H new ATOM 1466 N TYR A 92 -5.318 16.473 -8.748 1.00 32.54 N ATOM 1467 CA TYR A 92 -3.953 16.887 -9.034 1.00 12.11 C ATOM 1468 C TYR A 92 -3.742 18.365 -8.710 1.00 0.24 C ATOM 1469 O TYR A 92 -2.766 18.960 -9.168 1.00 12.25 O ATOM 1470 CB TYR A 92 -3.633 16.624 -10.524 1.00 43.41 C ATOM 1471 CG TYR A 92 -2.630 15.498 -10.667 1.00 55.33 C ATOM 1472 CD1 TYR A 92 -2.797 14.310 -9.942 1.00 31.44 C ATOM 1473 CD2 TYR A 92 -1.536 15.643 -11.529 1.00 71.13 C ATOM 1474 CE1 TYR A 92 -1.869 13.273 -10.079 1.00 43.34 C ATOM 1475 CE2 TYR A 92 -0.610 14.604 -11.664 1.00 15.14 C ATOM 1476 CZ TYR A 92 -0.777 13.420 -10.940 1.00 41.01 C ATOM 1477 OH TYR A 92 0.138 12.399 -11.072 1.00 3.13 O ATOM 0 H TYR A 92 -5.397 15.747 -8.036 1.00 32.54 H new ATOM 0 HA TYR A 92 -3.280 16.305 -8.404 1.00 12.11 H new ATOM 0 HB2 TYR A 92 -4.549 16.372 -11.058 1.00 43.41 H new ATOM 0 HB3 TYR A 92 -3.237 17.531 -10.981 1.00 43.41 H new ATOM 0 HD1 TYR A 92 -3.641 14.196 -9.278 1.00 31.44 H new ATOM 0 HD2 TYR A 92 -1.407 16.557 -12.089 1.00 71.13 H new ATOM 0 HE1 TYR A 92 -1.996 12.358 -9.519 1.00 43.34 H new ATOM 0 HE2 TYR A 92 0.234 14.716 -12.328 1.00 15.14 H new ATOM 0 HH TYR A 92 0.833 12.663 -11.710 1.00 3.13 H new ATOM 1487 N LYS A 93 -4.642 18.971 -7.934 1.00 72.45 N ATOM 1488 CA LYS A 93 -4.493 20.382 -7.600 1.00 2.32 C ATOM 1489 C LYS A 93 -5.198 20.707 -6.282 1.00 43.41 C ATOM 1490 O LYS A 93 -4.862 21.687 -5.619 1.00 54.34 O ATOM 1491 CB LYS A 93 -5.098 21.235 -8.717 1.00 54.15 C ATOM 1492 CG LYS A 93 -4.566 22.667 -8.621 1.00 14.21 C ATOM 1493 CD LYS A 93 -5.448 23.600 -9.455 1.00 4.50 C ATOM 1494 CE LYS A 93 -5.368 23.201 -10.930 1.00 33.33 C ATOM 1495 NZ LYS A 93 -5.913 24.301 -11.773 1.00 22.14 N ATOM 0 H LYS A 93 -5.463 18.517 -7.534 1.00 72.45 H new ATOM 0 HA LYS A 93 -3.431 20.602 -7.492 1.00 2.32 H new ATOM 0 HB2 LYS A 93 -4.848 20.809 -9.689 1.00 54.15 H new ATOM 0 HB3 LYS A 93 -6.185 21.235 -8.639 1.00 54.15 H new ATOM 0 HG2 LYS A 93 -4.556 22.993 -7.581 1.00 14.21 H new ATOM 0 HG3 LYS A 93 -3.537 22.708 -8.978 1.00 14.21 H new ATOM 0 HD2 LYS A 93 -6.480 23.546 -9.109 1.00 4.50 H new ATOM 0 HD3 LYS A 93 -5.123 24.633 -9.329 1.00 4.50 H new ATOM 0 HE2 LYS A 93 -4.334 22.995 -11.206 1.00 33.33 H new ATOM 0 HE3 LYS A 93 -5.932 22.284 -11.101 1.00 33.33 H new ATOM 0 HZ1 LYS A 93 -5.859 24.030 -12.776 1.00 22.14 H new ATOM 0 HZ2 LYS A 93 -6.905 24.477 -11.515 1.00 22.14 H new ATOM 0 HZ3 LYS A 93 -5.356 25.166 -11.618 1.00 22.14 H new ATOM 1509 N SER A 94 -6.187 19.887 -5.916 1.00 53.35 N ATOM 1510 CA SER A 94 -6.945 20.113 -4.681 1.00 43.51 C ATOM 1511 C SER A 94 -7.007 18.851 -3.824 1.00 32.43 C ATOM 1512 O SER A 94 -6.599 18.863 -2.661 1.00 70.12 O ATOM 1513 CB SER A 94 -8.366 20.561 -5.023 1.00 31.12 C ATOM 1514 OG SER A 94 -8.312 21.555 -6.037 1.00 62.14 O ATOM 0 H SER A 94 -6.480 19.069 -6.450 1.00 53.35 H new ATOM 0 HA SER A 94 -6.433 20.889 -4.112 1.00 43.51 H new ATOM 0 HB2 SER A 94 -8.956 19.710 -5.363 1.00 31.12 H new ATOM 0 HB3 SER A 94 -8.859 20.957 -4.135 1.00 31.12 H new ATOM 0 HG SER A 94 -8.642 21.180 -6.880 1.00 62.14 H new ATOM 1520 N TYR A 95 -7.523 17.764 -4.392 1.00 15.34 N ATOM 1521 CA TYR A 95 -7.635 16.507 -3.652 1.00 5.52 C ATOM 1522 C TYR A 95 -7.699 15.328 -4.615 1.00 54.54 C ATOM 1523 O TYR A 95 -7.993 15.501 -5.796 1.00 1.12 O ATOM 1524 CB TYR A 95 -8.896 16.527 -2.791 1.00 44.14 C ATOM 1525 CG TYR A 95 -10.055 17.034 -3.616 1.00 23.33 C ATOM 1526 CD1 TYR A 95 -10.823 16.140 -4.371 1.00 54.52 C ATOM 1527 CD2 TYR A 95 -10.359 18.401 -3.629 1.00 23.14 C ATOM 1528 CE1 TYR A 95 -11.896 16.611 -5.137 1.00 52.44 C ATOM 1529 CE2 TYR A 95 -11.431 18.873 -4.395 1.00 51.23 C ATOM 1530 CZ TYR A 95 -12.200 17.979 -5.149 1.00 65.22 C ATOM 1531 OH TYR A 95 -13.257 18.443 -5.905 1.00 65.12 O ATOM 0 H TYR A 95 -7.867 17.726 -5.351 1.00 15.34 H new ATOM 0 HA TYR A 95 -6.757 16.398 -3.015 1.00 5.52 H new ATOM 0 HB2 TYR A 95 -9.111 15.526 -2.417 1.00 44.14 H new ATOM 0 HB3 TYR A 95 -8.746 17.167 -1.921 1.00 44.14 H new ATOM 0 HD1 TYR A 95 -10.588 15.086 -4.363 1.00 54.52 H new ATOM 0 HD2 TYR A 95 -9.766 19.091 -3.048 1.00 23.14 H new ATOM 0 HE1 TYR A 95 -12.489 15.921 -5.718 1.00 52.44 H new ATOM 0 HE2 TYR A 95 -11.665 19.927 -4.404 1.00 51.23 H new ATOM 0 HH TYR A 95 -13.332 19.415 -5.801 1.00 65.12 H new ATOM 1541 N ALA A 96 -7.419 14.126 -4.115 1.00 1.44 N ATOM 1542 CA ALA A 96 -7.450 12.944 -4.972 1.00 22.30 C ATOM 1543 C ALA A 96 -7.856 11.693 -4.204 1.00 13.33 C ATOM 1544 O ALA A 96 -7.469 11.496 -3.052 1.00 32.15 O ATOM 1545 CB ALA A 96 -6.069 12.719 -5.596 1.00 34.42 C ATOM 0 H ALA A 96 -7.173 13.947 -3.142 1.00 1.44 H new ATOM 0 HA ALA A 96 -8.194 13.124 -5.748 1.00 22.30 H new ATOM 0 HB1 ALA A 96 -6.098 11.836 -6.234 1.00 34.42 H new ATOM 0 HB2 ALA A 96 -5.793 13.589 -6.192 1.00 34.42 H new ATOM 0 HB3 ALA A 96 -5.332 12.572 -4.806 1.00 34.42 H new ATOM 1551 N VAL A 97 -8.610 10.830 -4.883 1.00 41.15 N ATOM 1552 CA VAL A 97 -9.047 9.558 -4.305 1.00 53.33 C ATOM 1553 C VAL A 97 -8.443 8.449 -5.143 1.00 34.43 C ATOM 1554 O VAL A 97 -8.731 8.340 -6.335 1.00 45.11 O ATOM 1555 CB VAL A 97 -10.578 9.451 -4.307 1.00 73.01 C ATOM 1556 CG1 VAL A 97 -11.025 8.414 -3.271 1.00 52.51 C ATOM 1557 CG2 VAL A 97 -11.185 10.814 -3.965 1.00 45.23 C ATOM 0 H VAL A 97 -8.933 10.988 -5.838 1.00 41.15 H new ATOM 0 HA VAL A 97 -8.719 9.484 -3.268 1.00 53.33 H new ATOM 0 HB VAL A 97 -10.917 9.140 -5.295 1.00 73.01 H new ATOM 0 HG11 VAL A 97 -12.113 8.341 -3.275 1.00 52.51 H new ATOM 0 HG12 VAL A 97 -10.595 7.444 -3.519 1.00 52.51 H new ATOM 0 HG13 VAL A 97 -10.686 8.719 -2.281 1.00 52.51 H new ATOM 0 HG21 VAL A 97 -12.272 10.739 -3.966 1.00 45.23 H new ATOM 0 HG22 VAL A 97 -10.844 11.127 -2.978 1.00 45.23 H new ATOM 0 HG23 VAL A 97 -10.871 11.548 -4.707 1.00 45.23 H new ATOM 1567 N ILE A 98 -7.556 7.668 -4.542 1.00 64.01 N ATOM 1568 CA ILE A 98 -6.860 6.617 -5.269 1.00 32.23 C ATOM 1569 C ILE A 98 -7.087 5.253 -4.635 1.00 22.44 C ATOM 1570 O ILE A 98 -7.272 5.138 -3.424 1.00 0.24 O ATOM 1571 CB ILE A 98 -5.368 6.948 -5.256 1.00 42.23 C ATOM 1572 CG1 ILE A 98 -5.185 8.449 -5.547 1.00 5.33 C ATOM 1573 CG2 ILE A 98 -4.633 6.124 -6.315 1.00 35.45 C ATOM 1574 CD1 ILE A 98 -3.713 8.834 -5.412 1.00 53.14 C ATOM 0 H ILE A 98 -7.302 7.742 -3.557 1.00 64.01 H new ATOM 0 HA ILE A 98 -7.244 6.571 -6.288 1.00 32.23 H new ATOM 0 HB ILE A 98 -4.953 6.706 -4.277 1.00 42.23 H new ATOM 0 HG12 ILE A 98 -5.538 8.678 -6.552 1.00 5.33 H new ATOM 0 HG13 ILE A 98 -5.788 9.038 -4.855 1.00 5.33 H new ATOM 0 HG21 ILE A 98 -3.571 6.370 -6.295 1.00 35.45 H new ATOM 0 HG22 ILE A 98 -4.764 5.062 -6.105 1.00 35.45 H new ATOM 0 HG23 ILE A 98 -5.040 6.352 -7.300 1.00 35.45 H new ATOM 0 HD11 ILE A 98 -3.595 9.897 -5.620 1.00 53.14 H new ATOM 0 HD12 ILE A 98 -3.373 8.622 -4.398 1.00 53.14 H new ATOM 0 HD13 ILE A 98 -3.120 8.257 -6.122 1.00 53.14 H new ATOM 1586 N TYR A 99 -7.074 4.222 -5.471 1.00 12.11 N ATOM 1587 CA TYR A 99 -7.281 2.861 -4.996 1.00 44.33 C ATOM 1588 C TYR A 99 -5.933 2.196 -4.735 1.00 11.43 C ATOM 1589 O TYR A 99 -5.213 1.827 -5.664 1.00 12.40 O ATOM 1590 CB TYR A 99 -8.064 2.069 -6.056 1.00 52.14 C ATOM 1591 CG TYR A 99 -8.848 0.952 -5.404 1.00 72.42 C ATOM 1592 CD1 TYR A 99 -10.033 1.240 -4.717 1.00 23.34 C ATOM 1593 CD2 TYR A 99 -8.393 -0.369 -5.493 1.00 23.22 C ATOM 1594 CE1 TYR A 99 -10.764 0.206 -4.119 1.00 31.33 C ATOM 1595 CE2 TYR A 99 -9.124 -1.402 -4.896 1.00 21.51 C ATOM 1596 CZ TYR A 99 -10.310 -1.114 -4.208 1.00 43.45 C ATOM 1597 OH TYR A 99 -11.031 -2.133 -3.620 1.00 3.02 O ATOM 0 H TYR A 99 -6.923 4.302 -6.477 1.00 12.11 H new ATOM 0 HA TYR A 99 -7.850 2.879 -4.066 1.00 44.33 H new ATOM 0 HB2 TYR A 99 -8.742 2.735 -6.590 1.00 52.14 H new ATOM 0 HB3 TYR A 99 -7.376 1.657 -6.794 1.00 52.14 H new ATOM 0 HD1 TYR A 99 -10.383 2.259 -4.648 1.00 23.34 H new ATOM 0 HD2 TYR A 99 -7.478 -0.591 -6.022 1.00 23.22 H new ATOM 0 HE1 TYR A 99 -11.678 0.428 -3.589 1.00 31.33 H new ATOM 0 HE2 TYR A 99 -8.774 -2.421 -4.966 1.00 21.51 H new ATOM 0 HH TYR A 99 -10.723 -2.995 -3.969 1.00 3.02 H new ATOM 1607 N ALA A 100 -5.599 2.063 -3.453 1.00 60.31 N ATOM 1608 CA ALA A 100 -4.330 1.460 -3.048 1.00 51.13 C ATOM 1609 C ALA A 100 -4.545 0.032 -2.574 1.00 41.03 C ATOM 1610 O ALA A 100 -5.515 -0.264 -1.876 1.00 31.34 O ATOM 1611 CB ALA A 100 -3.696 2.278 -1.919 1.00 1.40 C ATOM 0 H ALA A 100 -6.189 2.364 -2.677 1.00 60.31 H new ATOM 0 HA ALA A 100 -3.664 1.452 -3.911 1.00 51.13 H new ATOM 0 HB1 ALA A 100 -2.751 1.821 -1.625 1.00 1.40 H new ATOM 0 HB2 ALA A 100 -3.514 3.296 -2.265 1.00 1.40 H new ATOM 0 HB3 ALA A 100 -4.371 2.301 -1.063 1.00 1.40 H new ATOM 1617 N THR A 101 -3.631 -0.853 -2.959 1.00 24.01 N ATOM 1618 CA THR A 101 -3.728 -2.254 -2.568 1.00 73.20 C ATOM 1619 C THR A 101 -2.349 -2.846 -2.310 1.00 43.22 C ATOM 1620 O THR A 101 -1.426 -2.687 -3.109 1.00 4.25 O ATOM 1621 CB THR A 101 -4.435 -3.055 -3.662 1.00 75.11 C ATOM 1622 OG1 THR A 101 -4.442 -4.432 -3.309 1.00 62.23 O ATOM 1623 CG2 THR A 101 -3.703 -2.870 -4.991 1.00 74.44 C ATOM 0 H THR A 101 -2.821 -0.627 -3.537 1.00 24.01 H new ATOM 0 HA THR A 101 -4.306 -2.309 -1.645 1.00 73.20 H new ATOM 0 HB THR A 101 -5.461 -2.700 -3.765 1.00 75.11 H new ATOM 0 HG1 THR A 101 -4.293 -4.523 -2.345 1.00 62.23 H new ATOM 0 HG21 THR A 101 -4.210 -3.442 -5.768 1.00 74.44 H new ATOM 0 HG22 THR A 101 -3.701 -1.814 -5.261 1.00 74.44 H new ATOM 0 HG23 THR A 101 -2.676 -3.222 -4.893 1.00 74.44 H new ATOM 1631 N ARG A 102 -2.232 -3.550 -1.189 1.00 61.03 N ATOM 1632 CA ARG A 102 -0.983 -4.201 -0.810 1.00 5.41 C ATOM 1633 C ARG A 102 -1.251 -5.684 -0.627 1.00 54.23 C ATOM 1634 O ARG A 102 -2.209 -6.059 0.055 1.00 15.34 O ATOM 1635 CB ARG A 102 -0.454 -3.602 0.497 1.00 60.00 C ATOM 1636 CG ARG A 102 0.941 -4.159 0.795 1.00 14.52 C ATOM 1637 CD ARG A 102 1.358 -3.756 2.210 1.00 72.51 C ATOM 1638 NE ARG A 102 2.747 -4.128 2.451 1.00 20.24 N ATOM 1639 CZ ARG A 102 3.747 -3.413 1.945 1.00 30.11 C ATOM 1640 NH1 ARG A 102 3.494 -2.359 1.218 1.00 54.53 N ATOM 1641 NH2 ARG A 102 4.982 -3.765 2.175 1.00 50.21 N ATOM 0 H ARG A 102 -2.993 -3.685 -0.523 1.00 61.03 H new ATOM 0 HA ARG A 102 -0.234 -4.049 -1.587 1.00 5.41 H new ATOM 0 HB2 ARG A 102 -0.413 -2.516 0.420 1.00 60.00 H new ATOM 0 HB3 ARG A 102 -1.133 -3.838 1.317 1.00 60.00 H new ATOM 0 HG2 ARG A 102 0.939 -5.245 0.700 1.00 14.52 H new ATOM 0 HG3 ARG A 102 1.660 -3.777 0.070 1.00 14.52 H new ATOM 0 HD2 ARG A 102 1.234 -2.681 2.341 1.00 72.51 H new ATOM 0 HD3 ARG A 102 0.712 -4.243 2.940 1.00 72.51 H new ATOM 0 HE ARG A 102 2.955 -4.951 3.017 1.00 20.24 H new ATOM 0 HH11 ARG A 102 2.529 -2.083 1.038 1.00 54.53 H new ATOM 0 HH12 ARG A 102 4.262 -1.811 0.830 1.00 54.53 H new ATOM 0 HH21 ARG A 102 5.180 -4.589 2.743 1.00 50.21 H new ATOM 0 HH22 ARG A 102 5.749 -3.217 1.787 1.00 50.21 H new ATOM 1655 N VAL A 103 -0.440 -6.537 -1.253 1.00 61.31 N ATOM 1656 CA VAL A 103 -0.652 -7.980 -1.150 1.00 22.05 C ATOM 1657 C VAL A 103 0.535 -8.656 -0.476 1.00 4.11 C ATOM 1658 O VAL A 103 1.653 -8.634 -0.991 1.00 23.25 O ATOM 1659 CB VAL A 103 -0.856 -8.563 -2.556 1.00 35.21 C ATOM 1660 CG1 VAL A 103 0.388 -8.304 -3.415 1.00 4.22 C ATOM 1661 CG2 VAL A 103 -1.111 -10.073 -2.467 1.00 62.12 C ATOM 0 H VAL A 103 0.356 -6.260 -1.827 1.00 61.31 H new ATOM 0 HA VAL A 103 -1.538 -8.163 -0.542 1.00 22.05 H new ATOM 0 HB VAL A 103 -1.719 -8.080 -3.015 1.00 35.21 H new ATOM 0 HG11 VAL A 103 0.236 -8.720 -4.411 1.00 4.22 H new ATOM 0 HG12 VAL A 103 0.559 -7.230 -3.493 1.00 4.22 H new ATOM 0 HG13 VAL A 103 1.254 -8.777 -2.953 1.00 4.22 H new ATOM 0 HG21 VAL A 103 -1.254 -10.477 -3.469 1.00 62.12 H new ATOM 0 HG22 VAL A 103 -0.256 -10.559 -1.998 1.00 62.12 H new ATOM 0 HG23 VAL A 103 -2.004 -10.257 -1.870 1.00 62.12 H new ATOM 1671 N LYS A 104 0.279 -9.268 0.676 1.00 3.15 N ATOM 1672 CA LYS A 104 1.321 -9.967 1.417 1.00 32.13 C ATOM 1673 C LYS A 104 1.277 -11.445 1.061 1.00 22.11 C ATOM 1674 O LYS A 104 0.327 -11.909 0.430 1.00 10.01 O ATOM 1675 CB LYS A 104 1.097 -9.781 2.924 1.00 14.51 C ATOM 1676 CG LYS A 104 2.395 -10.067 3.686 1.00 2.35 C ATOM 1677 CD LYS A 104 2.187 -9.773 5.174 1.00 64.04 C ATOM 1678 CE LYS A 104 3.544 -9.709 5.879 1.00 0.02 C ATOM 1679 NZ LYS A 104 4.207 -8.413 5.562 1.00 4.41 N ATOM 0 H LYS A 104 -0.641 -9.294 1.116 1.00 3.15 H new ATOM 0 HA LYS A 104 2.297 -9.560 1.154 1.00 32.13 H new ATOM 0 HB2 LYS A 104 0.763 -8.764 3.127 1.00 14.51 H new ATOM 0 HB3 LYS A 104 0.309 -10.450 3.268 1.00 14.51 H new ATOM 0 HG2 LYS A 104 2.689 -11.107 3.547 1.00 2.35 H new ATOM 0 HG3 LYS A 104 3.204 -9.452 3.292 1.00 2.35 H new ATOM 0 HD2 LYS A 104 1.657 -8.829 5.298 1.00 64.04 H new ATOM 0 HD3 LYS A 104 1.568 -10.548 5.625 1.00 64.04 H new ATOM 0 HE2 LYS A 104 3.411 -9.808 6.956 1.00 0.02 H new ATOM 0 HE3 LYS A 104 4.172 -10.540 5.558 1.00 0.02 H new ATOM 0 HZ1 LYS A 104 4.971 -8.238 6.245 1.00 4.41 H new ATOM 0 HZ2 LYS A 104 4.604 -8.452 4.601 1.00 4.41 H new ATOM 0 HZ3 LYS A 104 3.510 -7.644 5.618 1.00 4.41 H new ATOM 1693 N ASP A 105 2.302 -12.185 1.452 1.00 4.52 N ATOM 1694 CA ASP A 105 2.347 -13.605 1.144 1.00 33.04 C ATOM 1695 C ASP A 105 1.132 -14.320 1.730 1.00 40.01 C ATOM 1696 O ASP A 105 1.039 -14.523 2.941 1.00 25.42 O ATOM 1697 CB ASP A 105 3.627 -14.222 1.709 1.00 54.53 C ATOM 1698 CG ASP A 105 4.845 -13.627 1.010 1.00 72.43 C ATOM 1699 OD1 ASP A 105 4.674 -13.070 -0.062 1.00 31.34 O ATOM 1700 OD2 ASP A 105 5.930 -13.738 1.556 1.00 4.54 O ATOM 0 H ASP A 105 3.103 -11.833 1.976 1.00 4.52 H new ATOM 0 HA ASP A 105 2.335 -13.723 0.060 1.00 33.04 H new ATOM 0 HB2 ASP A 105 3.687 -14.038 2.782 1.00 54.53 H new ATOM 0 HB3 ASP A 105 3.611 -15.303 1.572 1.00 54.53 H new ATOM 1705 N GLY A 106 0.217 -14.728 0.850 1.00 64.04 N ATOM 1706 CA GLY A 106 -0.979 -15.455 1.271 1.00 22.21 C ATOM 1707 C GLY A 106 -2.156 -14.530 1.589 1.00 71.13 C ATOM 1708 O GLY A 106 -3.259 -15.009 1.854 1.00 62.32 O ATOM 0 H GLY A 106 0.281 -14.568 -0.155 1.00 64.04 H new ATOM 0 HA2 GLY A 106 -1.272 -16.150 0.484 1.00 22.21 H new ATOM 0 HA3 GLY A 106 -0.744 -16.052 2.152 1.00 22.21 H new ATOM 1712 N ARG A 107 -1.930 -13.214 1.584 1.00 52.25 N ATOM 1713 CA ARG A 107 -3.009 -12.268 1.898 1.00 30.51 C ATOM 1714 C ARG A 107 -3.073 -11.121 0.892 1.00 45.05 C ATOM 1715 O ARG A 107 -2.047 -10.637 0.415 1.00 5.05 O ATOM 1716 CB ARG A 107 -2.800 -11.697 3.301 1.00 72.11 C ATOM 1717 CG ARG A 107 -2.606 -12.842 4.297 1.00 50.40 C ATOM 1718 CD ARG A 107 -2.738 -12.308 5.724 1.00 41.32 C ATOM 1719 NE ARG A 107 -4.139 -12.051 6.038 1.00 31.44 N ATOM 1720 CZ ARG A 107 -4.483 -11.280 7.064 1.00 60.31 C ATOM 1721 NH1 ARG A 107 -3.561 -10.738 7.811 1.00 52.42 N ATOM 1722 NH2 ARG A 107 -5.744 -11.066 7.325 1.00 73.55 N ATOM 0 H ARG A 107 -1.030 -12.784 1.371 1.00 52.25 H new ATOM 0 HA ARG A 107 -3.951 -12.814 1.847 1.00 30.51 H new ATOM 0 HB2 ARG A 107 -1.930 -11.041 3.312 1.00 72.11 H new ATOM 0 HB3 ARG A 107 -3.659 -11.092 3.590 1.00 72.11 H new ATOM 0 HG2 ARG A 107 -3.347 -13.621 4.120 1.00 50.40 H new ATOM 0 HG3 ARG A 107 -1.625 -13.297 4.157 1.00 50.40 H new ATOM 0 HD2 ARG A 107 -2.326 -13.029 6.430 1.00 41.32 H new ATOM 0 HD3 ARG A 107 -2.159 -11.391 5.832 1.00 41.32 H new ATOM 0 HE ARG A 107 -4.867 -12.470 5.460 1.00 31.44 H new ATOM 0 HH11 ARG A 107 -2.576 -10.906 7.607 1.00 52.42 H new ATOM 0 HH12 ARG A 107 -3.825 -10.146 8.599 1.00 52.42 H new ATOM 0 HH21 ARG A 107 -6.465 -11.491 6.741 1.00 73.55 H new ATOM 0 HH22 ARG A 107 -6.009 -10.474 8.113 1.00 73.55 H new ATOM 1736 N THR A 108 -4.299 -10.683 0.594 1.00 4.34 N ATOM 1737 CA THR A 108 -4.531 -9.579 -0.341 1.00 63.42 C ATOM 1738 C THR A 108 -5.414 -8.523 0.319 1.00 41.25 C ATOM 1739 O THR A 108 -6.302 -8.856 1.104 1.00 23.14 O ATOM 1740 CB THR A 108 -5.213 -10.099 -1.609 1.00 61.41 C ATOM 1741 OG1 THR A 108 -4.436 -11.153 -2.163 1.00 42.34 O ATOM 1742 CG2 THR A 108 -5.337 -8.964 -2.626 1.00 65.12 C ATOM 0 H THR A 108 -5.151 -11.079 0.990 1.00 4.34 H new ATOM 0 HA THR A 108 -3.573 -9.135 -0.609 1.00 63.42 H new ATOM 0 HB THR A 108 -6.207 -10.471 -1.362 1.00 61.41 H new ATOM 0 HG1 THR A 108 -4.871 -11.489 -2.974 1.00 42.34 H new ATOM 0 HG21 THR A 108 -5.823 -9.335 -3.528 1.00 65.12 H new ATOM 0 HG22 THR A 108 -5.932 -8.157 -2.199 1.00 65.12 H new ATOM 0 HG23 THR A 108 -4.344 -8.590 -2.876 1.00 65.12 H new ATOM 1750 N LEU A 109 -5.163 -7.248 0.016 1.00 43.23 N ATOM 1751 CA LEU A 109 -5.954 -6.177 0.622 1.00 64.43 C ATOM 1752 C LEU A 109 -6.051 -4.950 -0.288 1.00 14.32 C ATOM 1753 O LEU A 109 -5.106 -4.599 -0.994 1.00 21.44 O ATOM 1754 CB LEU A 109 -5.333 -5.831 2.003 1.00 3.33 C ATOM 1755 CG LEU A 109 -5.166 -4.315 2.228 1.00 55.33 C ATOM 1756 CD1 LEU A 109 -6.532 -3.663 2.505 1.00 64.01 C ATOM 1757 CD2 LEU A 109 -4.246 -4.098 3.436 1.00 13.03 C ATOM 0 H LEU A 109 -4.437 -6.937 -0.629 1.00 43.23 H new ATOM 0 HA LEU A 109 -6.980 -6.519 0.762 1.00 64.43 H new ATOM 0 HB2 LEU A 109 -5.963 -6.242 2.791 1.00 3.33 H new ATOM 0 HB3 LEU A 109 -4.360 -6.314 2.089 1.00 3.33 H new ATOM 0 HG LEU A 109 -4.736 -3.861 1.336 1.00 55.33 H new ATOM 0 HD11 LEU A 109 -6.399 -2.593 2.662 1.00 64.01 H new ATOM 0 HD12 LEU A 109 -7.192 -3.826 1.653 1.00 64.01 H new ATOM 0 HD13 LEU A 109 -6.974 -4.108 3.396 1.00 64.01 H new ATOM 0 HD21 LEU A 109 -4.118 -3.029 3.608 1.00 13.03 H new ATOM 0 HD22 LEU A 109 -4.690 -4.557 4.319 1.00 13.03 H new ATOM 0 HD23 LEU A 109 -3.275 -4.553 3.240 1.00 13.03 H new ATOM 1769 N HIS A 110 -7.210 -4.293 -0.231 1.00 4.52 N ATOM 1770 CA HIS A 110 -7.467 -3.082 -1.009 1.00 62.11 C ATOM 1771 C HIS A 110 -7.936 -1.983 -0.060 1.00 21.10 C ATOM 1772 O HIS A 110 -8.568 -2.275 0.956 1.00 1.34 O ATOM 1773 CB HIS A 110 -8.539 -3.350 -2.066 1.00 64.31 C ATOM 1774 CG HIS A 110 -9.729 -4.003 -1.419 1.00 54.24 C ATOM 1775 ND1 HIS A 110 -9.717 -5.331 -1.017 1.00 13.34 N ATOM 1776 CD2 HIS A 110 -10.976 -3.526 -1.097 1.00 63.31 C ATOM 1777 CE1 HIS A 110 -10.921 -5.603 -0.482 1.00 5.01 C ATOM 1778 NE2 HIS A 110 -11.726 -4.538 -0.505 1.00 62.11 N ATOM 0 H HIS A 110 -7.994 -4.584 0.353 1.00 4.52 H new ATOM 0 HA HIS A 110 -6.554 -2.771 -1.517 1.00 62.11 H new ATOM 0 HB2 HIS A 110 -8.837 -2.416 -2.542 1.00 64.31 H new ATOM 0 HB3 HIS A 110 -8.139 -3.993 -2.850 1.00 64.31 H new ATOM 0 HD1 HIS A 110 -8.937 -5.982 -1.110 1.00 13.34 H new ATOM 0 HD2 HIS A 110 -11.322 -2.519 -1.276 1.00 63.31 H new ATOM 0 HE1 HIS A 110 -11.202 -6.566 -0.082 1.00 5.01 H new ATOM 1786 N MET A 111 -7.629 -0.721 -0.366 1.00 60.55 N ATOM 1787 CA MET A 111 -8.034 0.376 0.508 1.00 21.20 C ATOM 1788 C MET A 111 -8.081 1.699 -0.261 1.00 44.45 C ATOM 1789 O MET A 111 -7.368 1.875 -1.249 1.00 23.21 O ATOM 1790 CB MET A 111 -7.047 0.490 1.676 1.00 70.05 C ATOM 1791 CG MET A 111 -5.632 0.197 1.176 1.00 54.42 C ATOM 1792 SD MET A 111 -4.430 0.733 2.421 1.00 4.41 S ATOM 1793 CE MET A 111 -3.876 2.242 1.588 1.00 62.20 C ATOM 0 H MET A 111 -7.110 -0.438 -1.198 1.00 60.55 H new ATOM 0 HA MET A 111 -9.033 0.166 0.889 1.00 21.20 H new ATOM 0 HB2 MET A 111 -7.092 1.490 2.108 1.00 70.05 H new ATOM 0 HB3 MET A 111 -7.318 -0.211 2.465 1.00 70.05 H new ATOM 0 HG2 MET A 111 -5.517 -0.869 0.979 1.00 54.42 H new ATOM 0 HG3 MET A 111 -5.453 0.716 0.234 1.00 54.42 H new ATOM 0 HE1 MET A 111 -3.331 2.869 2.294 1.00 62.20 H new ATOM 0 HE2 MET A 111 -3.222 1.979 0.757 1.00 62.20 H new ATOM 0 HE3 MET A 111 -4.741 2.788 1.211 1.00 62.20 H new ATOM 1803 N MET A 112 -8.905 2.637 0.212 1.00 1.24 N ATOM 1804 CA MET A 112 -9.005 3.951 -0.434 1.00 41.25 C ATOM 1805 C MET A 112 -8.171 4.956 0.351 1.00 62.23 C ATOM 1806 O MET A 112 -8.131 4.911 1.578 1.00 24.34 O ATOM 1807 CB MET A 112 -10.461 4.474 -0.487 1.00 1.31 C ATOM 1808 CG MET A 112 -11.486 3.339 -0.390 1.00 72.30 C ATOM 1809 SD MET A 112 -11.757 2.627 -2.036 1.00 21.22 S ATOM 1810 CE MET A 112 -12.542 4.071 -2.806 1.00 60.13 C ATOM 0 H MET A 112 -9.505 2.516 1.028 1.00 1.24 H new ATOM 0 HA MET A 112 -8.644 3.838 -1.456 1.00 41.25 H new ATOM 0 HB2 MET A 112 -10.623 5.178 0.329 1.00 1.31 H new ATOM 0 HB3 MET A 112 -10.615 5.022 -1.416 1.00 1.31 H new ATOM 0 HG2 MET A 112 -11.130 2.571 0.296 1.00 72.30 H new ATOM 0 HG3 MET A 112 -12.425 3.716 0.014 1.00 72.30 H new ATOM 0 HE1 MET A 112 -13.427 3.753 -3.357 1.00 60.13 H new ATOM 0 HE2 MET A 112 -12.832 4.783 -2.033 1.00 60.13 H new ATOM 0 HE3 MET A 112 -11.839 4.545 -3.491 1.00 60.13 H new ATOM 1820 N ARG A 113 -7.508 5.861 -0.361 1.00 24.51 N ATOM 1821 CA ARG A 113 -6.678 6.872 0.291 1.00 61.01 C ATOM 1822 C ARG A 113 -7.042 8.262 -0.216 1.00 42.32 C ATOM 1823 O ARG A 113 -7.128 8.493 -1.422 1.00 50.01 O ATOM 1824 CB ARG A 113 -5.202 6.573 0.002 1.00 13.15 C ATOM 1825 CG ARG A 113 -4.309 7.744 0.465 1.00 5.41 C ATOM 1826 CD ARG A 113 -3.956 8.665 -0.714 1.00 24.14 C ATOM 1827 NE ARG A 113 -2.749 9.420 -0.409 1.00 43.44 N ATOM 1828 CZ ARG A 113 -2.087 10.073 -1.359 1.00 42.21 C ATOM 1829 NH1 ARG A 113 -2.525 10.058 -2.588 1.00 24.31 N ATOM 1830 NH2 ARG A 113 -1.000 10.732 -1.063 1.00 10.22 N ATOM 0 H ARG A 113 -7.527 5.917 -1.379 1.00 24.51 H new ATOM 0 HA ARG A 113 -6.851 6.844 1.367 1.00 61.01 H new ATOM 0 HB2 ARG A 113 -4.904 5.657 0.513 1.00 13.15 H new ATOM 0 HB3 ARG A 113 -5.062 6.402 -1.065 1.00 13.15 H new ATOM 0 HG2 ARG A 113 -4.824 8.316 1.237 1.00 5.41 H new ATOM 0 HG3 ARG A 113 -3.395 7.354 0.913 1.00 5.41 H new ATOM 0 HD2 ARG A 113 -3.807 8.073 -1.617 1.00 24.14 H new ATOM 0 HD3 ARG A 113 -4.782 9.348 -0.913 1.00 24.14 H new ATOM 0 HE ARG A 113 -2.405 9.448 0.551 1.00 43.44 H new ATOM 0 HH11 ARG A 113 -3.376 9.545 -2.820 1.00 24.31 H new ATOM 0 HH12 ARG A 113 -2.017 10.559 -3.317 1.00 24.31 H new ATOM 0 HH21 ARG A 113 -0.658 10.746 -0.102 1.00 10.22 H new ATOM 0 HH22 ARG A 113 -0.493 11.233 -1.792 1.00 10.22 H new ATOM 1844 N LEU A 114 -7.261 9.185 0.720 1.00 44.05 N ATOM 1845 CA LEU A 114 -7.624 10.559 0.380 1.00 33.01 C ATOM 1846 C LEU A 114 -6.515 11.506 0.810 1.00 22.40 C ATOM 1847 O LEU A 114 -6.087 11.497 1.976 1.00 63.31 O ATOM 1848 CB LEU A 114 -8.926 10.931 1.089 1.00 60.50 C ATOM 1849 CG LEU A 114 -9.244 12.422 0.899 1.00 65.24 C ATOM 1850 CD1 LEU A 114 -9.248 12.770 -0.593 1.00 31.23 C ATOM 1851 CD2 LEU A 114 -10.626 12.723 1.496 1.00 32.04 C ATOM 0 H LEU A 114 -7.193 9.005 1.722 1.00 44.05 H new ATOM 0 HA LEU A 114 -7.763 10.641 -0.698 1.00 33.01 H new ATOM 0 HB2 LEU A 114 -9.744 10.327 0.697 1.00 60.50 H new ATOM 0 HB3 LEU A 114 -8.844 10.705 2.152 1.00 60.50 H new ATOM 0 HG LEU A 114 -8.484 13.020 1.403 1.00 65.24 H new ATOM 0 HD11 LEU A 114 -9.474 13.829 -0.719 1.00 31.23 H new ATOM 0 HD12 LEU A 114 -8.268 12.555 -1.019 1.00 31.23 H new ATOM 0 HD13 LEU A 114 -10.004 12.174 -1.104 1.00 31.23 H new ATOM 0 HD21 LEU A 114 -10.857 13.780 1.364 1.00 32.04 H new ATOM 0 HD22 LEU A 114 -11.380 12.121 0.989 1.00 32.04 H new ATOM 0 HD23 LEU A 114 -10.623 12.482 2.559 1.00 32.04 H new ATOM 1863 N TYR A 115 -6.046 12.305 -0.147 1.00 44.23 N ATOM 1864 CA TYR A 115 -4.966 13.253 0.103 1.00 40.14 C ATOM 1865 C TYR A 115 -5.401 14.687 -0.221 1.00 22.21 C ATOM 1866 O TYR A 115 -6.348 14.908 -0.976 1.00 31.11 O ATOM 1867 CB TYR A 115 -3.744 12.845 -0.756 1.00 72.13 C ATOM 1868 CG TYR A 115 -3.513 13.835 -1.884 1.00 45.11 C ATOM 1869 CD1 TYR A 115 -4.528 14.076 -2.818 1.00 0.14 C ATOM 1870 CD2 TYR A 115 -2.288 14.506 -1.997 1.00 5.33 C ATOM 1871 CE1 TYR A 115 -4.321 14.985 -3.862 1.00 24.35 C ATOM 1872 CE2 TYR A 115 -2.083 15.417 -3.041 1.00 60.25 C ATOM 1873 CZ TYR A 115 -3.098 15.656 -3.973 1.00 33.12 C ATOM 1874 OH TYR A 115 -2.895 16.553 -5.002 1.00 75.14 O ATOM 0 H TYR A 115 -6.399 12.313 -1.104 1.00 44.23 H new ATOM 0 HA TYR A 115 -4.701 13.228 1.160 1.00 40.14 H new ATOM 0 HB2 TYR A 115 -2.855 12.792 -0.127 1.00 72.13 H new ATOM 0 HB3 TYR A 115 -3.902 11.849 -1.169 1.00 72.13 H new ATOM 0 HD1 TYR A 115 -5.473 13.559 -2.733 1.00 0.14 H new ATOM 0 HD2 TYR A 115 -1.502 14.321 -1.279 1.00 5.33 H new ATOM 0 HE1 TYR A 115 -5.105 15.169 -4.582 1.00 24.35 H new ATOM 0 HE2 TYR A 115 -1.140 15.936 -3.126 1.00 60.25 H new ATOM 0 HH TYR A 115 -3.446 17.350 -4.855 1.00 75.14 H new ATOM 1884 N SER A 116 -4.675 15.650 0.343 1.00 70.41 N ATOM 1885 CA SER A 116 -4.948 17.069 0.108 1.00 12.03 C ATOM 1886 C SER A 116 -3.739 17.709 -0.565 1.00 55.25 C ATOM 1887 O SER A 116 -2.609 17.288 -0.336 1.00 2.11 O ATOM 1888 CB SER A 116 -5.218 17.781 1.436 1.00 21.23 C ATOM 1889 OG SER A 116 -5.478 19.154 1.183 1.00 45.04 O ATOM 0 H SER A 116 -3.889 15.474 0.969 1.00 70.41 H new ATOM 0 HA SER A 116 -5.825 17.161 -0.533 1.00 12.03 H new ATOM 0 HB2 SER A 116 -6.069 17.324 1.941 1.00 21.23 H new ATOM 0 HB3 SER A 116 -4.360 17.677 2.100 1.00 21.23 H new ATOM 0 HG SER A 116 -5.170 19.691 1.943 1.00 45.04 H new ATOM 1895 N ARG A 117 -3.965 18.722 -1.397 1.00 43.54 N ATOM 1896 CA ARG A 117 -2.858 19.388 -2.075 1.00 25.41 C ATOM 1897 C ARG A 117 -2.229 20.421 -1.153 1.00 54.24 C ATOM 1898 O ARG A 117 -1.044 20.733 -1.258 1.00 55.14 O ATOM 1899 CB ARG A 117 -3.374 20.087 -3.336 1.00 32.42 C ATOM 1900 CG ARG A 117 -2.259 20.919 -3.989 1.00 15.50 C ATOM 1901 CD ARG A 117 -1.035 20.042 -4.273 1.00 50.14 C ATOM 1902 NE ARG A 117 -0.140 20.715 -5.206 1.00 63.53 N ATOM 1903 CZ ARG A 117 0.610 21.741 -4.816 1.00 63.54 C ATOM 1904 NH1 ARG A 117 0.544 22.164 -3.583 1.00 72.23 N ATOM 1905 NH2 ARG A 117 1.411 22.326 -5.663 1.00 71.13 N ATOM 0 H ARG A 117 -4.889 19.095 -1.615 1.00 43.54 H new ATOM 0 HA ARG A 117 -2.110 18.643 -2.346 1.00 25.41 H new ATOM 0 HB2 ARG A 117 -3.743 19.345 -4.044 1.00 32.42 H new ATOM 0 HB3 ARG A 117 -4.215 20.732 -3.082 1.00 32.42 H new ATOM 0 HG2 ARG A 117 -2.622 21.360 -4.917 1.00 15.50 H new ATOM 0 HG3 ARG A 117 -1.979 21.743 -3.333 1.00 15.50 H new ATOM 0 HD2 ARG A 117 -0.508 19.827 -3.343 1.00 50.14 H new ATOM 0 HD3 ARG A 117 -1.352 19.085 -4.688 1.00 50.14 H new ATOM 0 HE ARG A 117 -0.088 20.394 -6.173 1.00 63.53 H new ATOM 0 HH11 ARG A 117 -0.082 21.707 -2.920 1.00 72.23 H new ATOM 0 HH12 ARG A 117 1.119 22.951 -3.282 1.00 72.23 H new ATOM 0 HH21 ARG A 117 1.463 21.996 -6.627 1.00 71.13 H new ATOM 0 HH22 ARG A 117 1.985 23.113 -5.361 1.00 71.13 H new ATOM 1919 N SER A 118 -3.047 20.949 -0.253 1.00 24.42 N ATOM 1920 CA SER A 118 -2.595 21.960 0.700 1.00 34.12 C ATOM 1921 C SER A 118 -2.807 21.469 2.134 1.00 61.40 C ATOM 1922 O SER A 118 -3.785 20.778 2.415 1.00 0.21 O ATOM 1923 CB SER A 118 -3.388 23.247 0.476 1.00 11.54 C ATOM 1924 OG SER A 118 -2.927 24.254 1.368 1.00 62.22 O ATOM 0 H SER A 118 -4.030 20.695 -0.161 1.00 24.42 H new ATOM 0 HA SER A 118 -1.532 22.148 0.548 1.00 34.12 H new ATOM 0 HB2 SER A 118 -3.274 23.581 -0.555 1.00 11.54 H new ATOM 0 HB3 SER A 118 -4.450 23.064 0.636 1.00 11.54 H new ATOM 0 HG SER A 118 -3.436 25.079 1.221 1.00 62.22 H new ATOM 1930 N PRO A 119 -1.922 21.807 3.043 1.00 14.32 N ATOM 1931 CA PRO A 119 -2.035 21.389 4.467 1.00 30.02 C ATOM 1932 C PRO A 119 -3.483 21.382 4.958 1.00 14.44 C ATOM 1933 O PRO A 119 -3.820 20.684 5.914 1.00 34.41 O ATOM 1934 CB PRO A 119 -1.206 22.443 5.201 1.00 55.11 C ATOM 1935 CG PRO A 119 -0.142 22.848 4.228 1.00 1.31 C ATOM 1936 CD PRO A 119 -0.712 22.622 2.821 1.00 1.25 C ATOM 0 HA PRO A 119 -1.688 20.369 4.631 1.00 30.02 H new ATOM 0 HB2 PRO A 119 -1.820 23.296 5.492 1.00 55.11 H new ATOM 0 HB3 PRO A 119 -0.771 22.037 6.114 1.00 55.11 H new ATOM 0 HG2 PRO A 119 0.133 23.893 4.370 1.00 1.31 H new ATOM 0 HG3 PRO A 119 0.762 22.258 4.377 1.00 1.31 H new ATOM 0 HD2 PRO A 119 -0.953 23.567 2.333 1.00 1.25 H new ATOM 0 HD3 PRO A 119 0.003 22.106 2.181 1.00 1.25 H new ATOM 1944 N GLU A 120 -4.334 22.159 4.294 1.00 24.15 N ATOM 1945 CA GLU A 120 -5.737 22.236 4.662 1.00 14.33 C ATOM 1946 C GLU A 120 -6.532 21.168 3.925 1.00 33.04 C ATOM 1947 O GLU A 120 -6.080 20.623 2.919 1.00 2.01 O ATOM 1948 CB GLU A 120 -6.294 23.615 4.308 1.00 72.33 C ATOM 1949 CG GLU A 120 -5.361 24.698 4.854 1.00 42.31 C ATOM 1950 CD GLU A 120 -5.957 26.077 4.599 1.00 41.13 C ATOM 1951 OE1 GLU A 120 -6.946 26.152 3.887 1.00 41.25 O ATOM 1952 OE2 GLU A 120 -5.419 27.040 5.120 1.00 32.14 O ATOM 0 H GLU A 120 -4.073 22.743 3.499 1.00 24.15 H new ATOM 0 HA GLU A 120 -5.825 22.073 5.736 1.00 14.33 H new ATOM 0 HB2 GLU A 120 -6.390 23.714 3.227 1.00 72.33 H new ATOM 0 HB3 GLU A 120 -7.293 23.734 4.728 1.00 72.33 H new ATOM 0 HG2 GLU A 120 -5.207 24.552 5.923 1.00 42.31 H new ATOM 0 HG3 GLU A 120 -4.384 24.621 4.378 1.00 42.31 H new ATOM 1959 N VAL A 121 -7.716 20.878 4.437 1.00 32.41 N ATOM 1960 CA VAL A 121 -8.590 19.871 3.834 1.00 31.23 C ATOM 1961 C VAL A 121 -9.892 20.504 3.355 1.00 11.20 C ATOM 1962 O VAL A 121 -10.599 21.153 4.127 1.00 54.50 O ATOM 1963 CB VAL A 121 -8.901 18.777 4.857 1.00 24.01 C ATOM 1964 CG1 VAL A 121 -9.707 17.662 4.187 1.00 44.14 C ATOM 1965 CG2 VAL A 121 -7.591 18.202 5.402 1.00 23.14 C ATOM 0 H VAL A 121 -8.100 21.323 5.270 1.00 32.41 H new ATOM 0 HA VAL A 121 -8.076 19.437 2.977 1.00 31.23 H new ATOM 0 HB VAL A 121 -9.482 19.201 5.676 1.00 24.01 H new ATOM 0 HG11 VAL A 121 -9.928 16.883 4.917 1.00 44.14 H new ATOM 0 HG12 VAL A 121 -10.640 18.070 3.799 1.00 44.14 H new ATOM 0 HG13 VAL A 121 -9.128 17.237 3.367 1.00 44.14 H new ATOM 0 HG21 VAL A 121 -7.811 17.422 6.131 1.00 23.14 H new ATOM 0 HG22 VAL A 121 -7.011 17.779 4.582 1.00 23.14 H new ATOM 0 HG23 VAL A 121 -7.017 18.995 5.881 1.00 23.14 H new ATOM 1975 N SER A 122 -10.203 20.309 2.078 1.00 22.43 N ATOM 1976 CA SER A 122 -11.424 20.863 1.502 1.00 34.13 C ATOM 1977 C SER A 122 -12.624 19.974 1.844 1.00 33.32 C ATOM 1978 O SER A 122 -12.502 18.749 1.862 1.00 72.35 O ATOM 1979 CB SER A 122 -11.283 20.969 -0.017 1.00 1.24 C ATOM 1980 OG SER A 122 -12.537 21.328 -0.581 1.00 2.34 O ATOM 0 H SER A 122 -9.630 19.775 1.425 1.00 22.43 H new ATOM 0 HA SER A 122 -11.586 21.856 1.921 1.00 34.13 H new ATOM 0 HB2 SER A 122 -10.530 21.714 -0.273 1.00 1.24 H new ATOM 0 HB3 SER A 122 -10.944 20.019 -0.430 1.00 1.24 H new ATOM 0 HG SER A 122 -12.450 21.398 -1.555 1.00 2.34 H new ATOM 1986 N PRO A 123 -13.770 20.552 2.120 1.00 54.42 N ATOM 1987 CA PRO A 123 -14.993 19.769 2.472 1.00 11.10 C ATOM 1988 C PRO A 123 -15.523 18.970 1.282 1.00 22.23 C ATOM 1989 O PRO A 123 -16.178 17.942 1.453 1.00 75.20 O ATOM 1990 CB PRO A 123 -15.999 20.839 2.920 1.00 22.35 C ATOM 1991 CG PRO A 123 -15.557 22.095 2.244 1.00 22.41 C ATOM 1992 CD PRO A 123 -14.035 22.003 2.123 1.00 4.40 C ATOM 0 HA PRO A 123 -14.797 19.024 3.243 1.00 11.10 H new ATOM 0 HB2 PRO A 123 -17.015 20.571 2.629 1.00 22.35 H new ATOM 0 HB3 PRO A 123 -15.997 20.953 4.004 1.00 22.35 H new ATOM 0 HG2 PRO A 123 -16.020 22.192 1.262 1.00 22.41 H new ATOM 0 HG3 PRO A 123 -15.849 22.972 2.822 1.00 22.41 H new ATOM 0 HD2 PRO A 123 -13.677 22.477 1.209 1.00 4.40 H new ATOM 0 HD3 PRO A 123 -13.537 22.499 2.956 1.00 4.40 H new ATOM 2000 N ALA A 124 -15.233 19.449 0.076 1.00 61.43 N ATOM 2001 CA ALA A 124 -15.683 18.770 -1.133 1.00 54.43 C ATOM 2002 C ALA A 124 -14.880 17.492 -1.353 1.00 24.52 C ATOM 2003 O ALA A 124 -15.400 16.498 -1.863 1.00 33.51 O ATOM 2004 CB ALA A 124 -15.520 19.692 -2.343 1.00 61.51 C ATOM 0 H ALA A 124 -14.693 20.298 -0.089 1.00 61.43 H new ATOM 0 HA ALA A 124 -16.735 18.512 -1.015 1.00 54.43 H new ATOM 0 HB1 ALA A 124 -15.859 19.176 -3.242 1.00 61.51 H new ATOM 0 HB2 ALA A 124 -16.115 20.594 -2.196 1.00 61.51 H new ATOM 0 HB3 ALA A 124 -14.470 19.964 -2.455 1.00 61.51 H new ATOM 2010 N ALA A 125 -13.611 17.527 -0.963 1.00 63.15 N ATOM 2011 CA ALA A 125 -12.737 16.368 -1.115 1.00 32.45 C ATOM 2012 C ALA A 125 -13.257 15.195 -0.294 1.00 51.42 C ATOM 2013 O ALA A 125 -13.175 14.042 -0.714 1.00 53.31 O ATOM 2014 CB ALA A 125 -11.325 16.724 -0.649 1.00 71.13 C ATOM 0 H ALA A 125 -13.165 18.341 -0.541 1.00 63.15 H new ATOM 0 HA ALA A 125 -12.719 16.083 -2.167 1.00 32.45 H new ATOM 0 HB1 ALA A 125 -10.675 15.857 -0.764 1.00 71.13 H new ATOM 0 HB2 ALA A 125 -10.940 17.548 -1.250 1.00 71.13 H new ATOM 0 HB3 ALA A 125 -11.352 17.021 0.399 1.00 71.13 H new ATOM 2020 N THR A 126 -13.801 15.505 0.874 1.00 42.04 N ATOM 2021 CA THR A 126 -14.347 14.479 1.752 1.00 3.13 C ATOM 2022 C THR A 126 -15.683 13.966 1.210 1.00 51.41 C ATOM 2023 O THR A 126 -16.046 12.810 1.422 1.00 54.21 O ATOM 2024 CB THR A 126 -14.519 15.025 3.175 1.00 62.31 C ATOM 2025 OG1 THR A 126 -13.450 15.915 3.468 1.00 4.54 O ATOM 2026 CG2 THR A 126 -14.515 13.872 4.190 1.00 2.32 C ATOM 0 H THR A 126 -13.876 16.456 1.235 1.00 42.04 H new ATOM 0 HA THR A 126 -13.645 13.645 1.786 1.00 3.13 H new ATOM 0 HB THR A 126 -15.471 15.552 3.242 1.00 62.31 H new ATOM 0 HG1 THR A 126 -13.557 16.267 4.376 1.00 4.54 H new ATOM 0 HG21 THR A 126 -14.638 14.273 5.196 1.00 2.32 H new ATOM 0 HG22 THR A 126 -15.335 13.189 3.969 1.00 2.32 H new ATOM 0 HG23 THR A 126 -13.569 13.335 4.126 1.00 2.32 H new ATOM 2034 N ALA A 127 -16.434 14.837 0.540 1.00 65.22 N ATOM 2035 CA ALA A 127 -17.738 14.458 0.004 1.00 34.13 C ATOM 2036 C ALA A 127 -17.622 13.594 -1.250 1.00 11.24 C ATOM 2037 O ALA A 127 -18.257 12.545 -1.342 1.00 55.12 O ATOM 2038 CB ALA A 127 -18.521 15.714 -0.333 1.00 60.02 C ATOM 0 H ALA A 127 -16.164 15.803 0.356 1.00 65.22 H new ATOM 0 HA ALA A 127 -18.249 13.870 0.766 1.00 34.13 H new ATOM 0 HB1 ALA A 127 -19.496 15.438 -0.734 1.00 60.02 H new ATOM 0 HB2 ALA A 127 -18.655 16.312 0.568 1.00 60.02 H new ATOM 0 HB3 ALA A 127 -17.975 16.295 -1.076 1.00 60.02 H new ATOM 2044 N ILE A 128 -16.796 14.016 -2.207 1.00 55.13 N ATOM 2045 CA ILE A 128 -16.617 13.231 -3.414 1.00 51.22 C ATOM 2046 C ILE A 128 -16.150 11.850 -2.983 1.00 20.04 C ATOM 2047 O ILE A 128 -16.592 10.817 -3.490 1.00 2.22 O ATOM 2048 CB ILE A 128 -15.590 13.932 -4.321 1.00 23.31 C ATOM 2049 CG1 ILE A 128 -15.834 13.551 -5.781 1.00 74.21 C ATOM 2050 CG2 ILE A 128 -14.151 13.564 -3.928 1.00 20.33 C ATOM 2051 CD1 ILE A 128 -15.814 12.028 -5.948 1.00 35.30 C ATOM 0 H ILE A 128 -16.254 14.879 -2.167 1.00 55.13 H new ATOM 0 HA ILE A 128 -17.541 13.135 -3.985 1.00 51.22 H new ATOM 0 HB ILE A 128 -15.715 15.008 -4.196 1.00 23.31 H new ATOM 0 HG12 ILE A 128 -16.795 13.946 -6.111 1.00 74.21 H new ATOM 0 HG13 ILE A 128 -15.070 14.002 -6.414 1.00 74.21 H new ATOM 0 HG21 ILE A 128 -13.451 14.076 -4.588 1.00 20.33 H new ATOM 0 HG22 ILE A 128 -13.966 13.868 -2.898 1.00 20.33 H new ATOM 0 HG23 ILE A 128 -14.013 12.487 -4.019 1.00 20.33 H new ATOM 0 HD11 ILE A 128 -15.989 11.774 -6.993 1.00 35.30 H new ATOM 0 HD12 ILE A 128 -14.843 11.641 -5.639 1.00 35.30 H new ATOM 0 HD13 ILE A 128 -16.595 11.584 -5.331 1.00 35.30 H new ATOM 2063 N PHE A 129 -15.266 11.879 -2.004 1.00 13.41 N ATOM 2064 CA PHE A 129 -14.721 10.670 -1.425 1.00 54.25 C ATOM 2065 C PHE A 129 -15.847 9.708 -1.057 1.00 74.13 C ATOM 2066 O PHE A 129 -15.749 8.500 -1.278 1.00 74.52 O ATOM 2067 CB PHE A 129 -13.943 11.013 -0.169 1.00 73.20 C ATOM 2068 CG PHE A 129 -13.337 9.748 0.375 1.00 44.02 C ATOM 2069 CD1 PHE A 129 -14.074 8.942 1.249 1.00 2.04 C ATOM 2070 CD2 PHE A 129 -12.047 9.374 -0.004 1.00 32.52 C ATOM 2071 CE1 PHE A 129 -13.517 7.761 1.746 1.00 3.25 C ATOM 2072 CE2 PHE A 129 -11.487 8.192 0.494 1.00 60.31 C ATOM 2073 CZ PHE A 129 -12.224 7.386 1.372 1.00 71.35 C ATOM 0 H PHE A 129 -14.907 12.739 -1.590 1.00 13.41 H new ATOM 0 HA PHE A 129 -14.064 10.199 -2.156 1.00 54.25 H new ATOM 0 HB2 PHE A 129 -13.163 11.741 -0.393 1.00 73.20 H new ATOM 0 HB3 PHE A 129 -14.600 11.468 0.572 1.00 73.20 H new ATOM 0 HD1 PHE A 129 -15.073 9.232 1.539 1.00 2.04 H new ATOM 0 HD2 PHE A 129 -11.481 9.996 -0.681 1.00 32.52 H new ATOM 0 HE1 PHE A 129 -14.086 7.138 2.420 1.00 3.25 H new ATOM 0 HE2 PHE A 129 -10.489 7.902 0.202 1.00 60.31 H new ATOM 0 HZ PHE A 129 -11.793 6.475 1.760 1.00 71.35 H new ATOM 2083 N ARG A 130 -16.912 10.259 -0.478 1.00 22.32 N ATOM 2084 CA ARG A 130 -18.058 9.458 -0.058 1.00 74.31 C ATOM 2085 C ARG A 130 -18.846 8.915 -1.253 1.00 62.24 C ATOM 2086 O ARG A 130 -19.333 7.786 -1.215 1.00 75.33 O ATOM 2087 CB ARG A 130 -18.984 10.301 0.827 1.00 71.01 C ATOM 2088 CG ARG A 130 -20.275 9.527 1.113 1.00 0.54 C ATOM 2089 CD ARG A 130 -21.014 10.175 2.285 1.00 74.22 C ATOM 2090 NE ARG A 130 -22.205 9.402 2.619 1.00 34.41 N ATOM 2091 CZ ARG A 130 -23.110 9.868 3.472 1.00 42.40 C ATOM 2092 NH1 ARG A 130 -22.941 11.037 4.028 1.00 72.53 N ATOM 2093 NH2 ARG A 130 -24.168 9.158 3.754 1.00 73.43 N ATOM 0 H ARG A 130 -17.004 11.257 -0.289 1.00 22.32 H new ATOM 0 HA ARG A 130 -17.676 8.606 0.505 1.00 74.31 H new ATOM 0 HB2 ARG A 130 -18.482 10.548 1.763 1.00 71.01 H new ATOM 0 HB3 ARG A 130 -19.217 11.244 0.332 1.00 71.01 H new ATOM 0 HG2 ARG A 130 -20.911 9.521 0.228 1.00 0.54 H new ATOM 0 HG3 ARG A 130 -20.044 8.488 1.346 1.00 0.54 H new ATOM 0 HD2 ARG A 130 -20.355 10.234 3.151 1.00 74.22 H new ATOM 0 HD3 ARG A 130 -21.295 11.196 2.027 1.00 74.22 H new ATOM 0 HE ARG A 130 -22.345 8.487 2.190 1.00 34.41 H new ATOM 0 HH11 ARG A 130 -22.114 11.592 3.807 1.00 72.53 H new ATOM 0 HH12 ARG A 130 -23.636 11.395 4.683 1.00 72.53 H new ATOM 0 HH21 ARG A 130 -24.300 8.245 3.319 1.00 73.43 H new ATOM 0 HH22 ARG A 130 -24.863 9.516 4.409 1.00 73.43 H new ATOM 2107 N LYS A 131 -18.998 9.725 -2.298 1.00 53.31 N ATOM 2108 CA LYS A 131 -19.765 9.302 -3.467 1.00 0.30 C ATOM 2109 C LYS A 131 -19.312 7.930 -3.960 1.00 22.32 C ATOM 2110 O LYS A 131 -20.102 6.986 -3.999 1.00 55.33 O ATOM 2111 CB LYS A 131 -19.603 10.326 -4.593 1.00 73.30 C ATOM 2112 CG LYS A 131 -20.553 9.982 -5.742 1.00 45.43 C ATOM 2113 CD LYS A 131 -20.370 10.995 -6.874 1.00 3.23 C ATOM 2114 CE LYS A 131 -21.302 10.638 -8.034 1.00 41.33 C ATOM 2115 NZ LYS A 131 -20.979 9.271 -8.527 1.00 70.02 N ATOM 0 H LYS A 131 -18.607 10.665 -2.360 1.00 53.31 H new ATOM 0 HA LYS A 131 -20.813 9.234 -3.175 1.00 0.30 H new ATOM 0 HB2 LYS A 131 -19.815 11.328 -4.220 1.00 73.30 H new ATOM 0 HB3 LYS A 131 -18.573 10.330 -4.949 1.00 73.30 H new ATOM 0 HG2 LYS A 131 -20.352 8.974 -6.105 1.00 45.43 H new ATOM 0 HG3 LYS A 131 -21.585 9.995 -5.391 1.00 45.43 H new ATOM 0 HD2 LYS A 131 -20.588 12.001 -6.515 1.00 3.23 H new ATOM 0 HD3 LYS A 131 -19.334 10.995 -7.213 1.00 3.23 H new ATOM 0 HE2 LYS A 131 -22.341 10.682 -7.707 1.00 41.33 H new ATOM 0 HE3 LYS A 131 -21.191 11.363 -8.840 1.00 41.33 H new ATOM 0 HZ1 LYS A 131 -21.304 9.171 -9.510 1.00 70.02 H new ATOM 0 HZ2 LYS A 131 -19.951 9.121 -8.486 1.00 70.02 H new ATOM 0 HZ3 LYS A 131 -21.456 8.565 -7.931 1.00 70.02 H new ATOM 2129 N LEU A 132 -18.043 7.818 -4.336 1.00 1.15 N ATOM 2130 CA LEU A 132 -17.521 6.547 -4.821 1.00 21.42 C ATOM 2131 C LEU A 132 -17.578 5.498 -3.716 1.00 35.51 C ATOM 2132 O LEU A 132 -17.951 4.345 -3.949 1.00 10.52 O ATOM 2133 CB LEU A 132 -16.077 6.713 -5.314 1.00 63.20 C ATOM 2134 CG LEU A 132 -15.238 7.511 -4.283 1.00 22.31 C ATOM 2135 CD1 LEU A 132 -14.271 6.572 -3.553 1.00 35.34 C ATOM 2136 CD2 LEU A 132 -14.429 8.603 -5.000 1.00 60.02 C ATOM 0 H LEU A 132 -17.365 8.580 -4.315 1.00 1.15 H new ATOM 0 HA LEU A 132 -18.139 6.216 -5.656 1.00 21.42 H new ATOM 0 HB2 LEU A 132 -15.628 5.733 -5.477 1.00 63.20 H new ATOM 0 HB3 LEU A 132 -16.072 7.230 -6.274 1.00 63.20 H new ATOM 0 HG LEU A 132 -15.915 7.969 -3.562 1.00 22.31 H new ATOM 0 HD11 LEU A 132 -13.686 7.142 -2.831 1.00 35.34 H new ATOM 0 HD12 LEU A 132 -14.837 5.800 -3.033 1.00 35.34 H new ATOM 0 HD13 LEU A 132 -13.601 6.106 -4.276 1.00 35.34 H new ATOM 0 HD21 LEU A 132 -13.842 9.160 -4.270 1.00 60.02 H new ATOM 0 HD22 LEU A 132 -13.761 8.142 -5.727 1.00 60.02 H new ATOM 0 HD23 LEU A 132 -15.110 9.283 -5.512 1.00 60.02 H new ATOM 2148 N ALA A 133 -17.220 5.905 -2.507 1.00 22.32 N ATOM 2149 CA ALA A 133 -17.247 4.988 -1.379 1.00 1.31 C ATOM 2150 C ALA A 133 -18.652 4.433 -1.185 1.00 12.12 C ATOM 2151 O ALA A 133 -18.821 3.262 -0.844 1.00 70.21 O ATOM 2152 CB ALA A 133 -16.794 5.698 -0.109 1.00 51.15 C ATOM 0 H ALA A 133 -16.911 6.851 -2.284 1.00 22.32 H new ATOM 0 HA ALA A 133 -16.564 4.164 -1.587 1.00 1.31 H new ATOM 0 HB1 ALA A 133 -16.819 4.999 0.727 1.00 51.15 H new ATOM 0 HB2 ALA A 133 -15.777 6.068 -0.242 1.00 51.15 H new ATOM 0 HB3 ALA A 133 -17.461 6.535 0.097 1.00 51.15 H new ATOM 2158 N GLY A 134 -19.664 5.268 -1.422 1.00 74.41 N ATOM 2159 CA GLY A 134 -21.043 4.824 -1.284 1.00 60.30 C ATOM 2160 C GLY A 134 -21.347 3.773 -2.336 1.00 32.05 C ATOM 2161 O GLY A 134 -22.027 2.782 -2.068 1.00 34.25 O ATOM 0 H GLY A 134 -19.554 6.241 -1.706 1.00 74.41 H new ATOM 0 HA2 GLY A 134 -21.205 4.413 -0.287 1.00 60.30 H new ATOM 0 HA3 GLY A 134 -21.721 5.670 -1.394 1.00 60.30 H new ATOM 2165 N GLU A 135 -20.814 3.989 -3.535 1.00 35.20 N ATOM 2166 CA GLU A 135 -21.009 3.045 -4.621 1.00 1.00 C ATOM 2167 C GLU A 135 -20.367 1.716 -4.252 1.00 44.10 C ATOM 2168 O GLU A 135 -20.656 0.685 -4.858 1.00 3.04 O ATOM 2169 CB GLU A 135 -20.389 3.581 -5.914 1.00 54.22 C ATOM 2170 CG GLU A 135 -21.164 4.815 -6.379 1.00 44.15 C ATOM 2171 CD GLU A 135 -20.588 5.328 -7.694 1.00 12.12 C ATOM 2172 OE1 GLU A 135 -19.578 4.795 -8.124 1.00 21.12 O ATOM 2173 OE2 GLU A 135 -21.164 6.247 -8.253 1.00 52.33 O ATOM 0 H GLU A 135 -20.249 4.804 -3.774 1.00 35.20 H new ATOM 0 HA GLU A 135 -22.078 2.904 -4.783 1.00 1.00 H new ATOM 0 HB2 GLU A 135 -19.342 3.837 -5.749 1.00 54.22 H new ATOM 0 HB3 GLU A 135 -20.411 2.812 -6.686 1.00 54.22 H new ATOM 0 HG2 GLU A 135 -22.218 4.566 -6.507 1.00 44.15 H new ATOM 0 HG3 GLU A 135 -21.110 5.595 -5.620 1.00 44.15 H new ATOM 2180 N ARG A 136 -19.507 1.747 -3.232 1.00 13.41 N ATOM 2181 CA ARG A 136 -18.837 0.539 -2.758 1.00 71.42 C ATOM 2182 C ARG A 136 -19.542 0.016 -1.505 1.00 10.43 C ATOM 2183 O ARG A 136 -19.069 -0.915 -0.853 1.00 13.02 O ATOM 2184 CB ARG A 136 -17.368 0.852 -2.439 1.00 10.13 C ATOM 2185 CG ARG A 136 -16.542 -0.437 -2.462 1.00 20.53 C ATOM 2186 CD ARG A 136 -15.078 -0.108 -2.169 1.00 21.34 C ATOM 2187 NE ARG A 136 -14.923 0.310 -0.779 1.00 13.15 N ATOM 2188 CZ ARG A 136 -13.732 0.308 -0.189 1.00 61.11 C ATOM 2189 NH1 ARG A 136 -12.675 -0.069 -0.854 1.00 43.34 N ATOM 2190 NH2 ARG A 136 -13.621 0.686 1.054 1.00 30.20 N ATOM 0 H ARG A 136 -19.260 2.594 -2.721 1.00 13.41 H new ATOM 0 HA ARG A 136 -18.878 -0.224 -3.535 1.00 71.42 H new ATOM 0 HB2 ARG A 136 -16.972 1.561 -3.167 1.00 10.13 H new ATOM 0 HB3 ARG A 136 -17.292 1.325 -1.460 1.00 10.13 H new ATOM 0 HG2 ARG A 136 -16.924 -1.140 -1.721 1.00 20.53 H new ATOM 0 HG3 ARG A 136 -16.630 -0.921 -3.435 1.00 20.53 H new ATOM 0 HD2 ARG A 136 -14.455 -0.981 -2.365 1.00 21.34 H new ATOM 0 HD3 ARG A 136 -14.736 0.684 -2.835 1.00 21.34 H new ATOM 0 HE ARG A 136 -15.743 0.609 -0.251 1.00 13.15 H new ATOM 0 HH11 ARG A 136 -12.762 -0.362 -1.827 1.00 43.34 H new ATOM 0 HH12 ARG A 136 -11.761 -0.070 -0.401 1.00 43.34 H new ATOM 0 HH21 ARG A 136 -14.448 0.983 1.573 1.00 30.20 H new ATOM 0 HH22 ARG A 136 -12.707 0.685 1.508 1.00 30.20 H new ATOM 2204 N ASN A 137 -20.687 0.620 -1.189 1.00 22.44 N ATOM 2205 CA ASN A 137 -21.476 0.209 -0.028 1.00 43.04 C ATOM 2206 C ASN A 137 -20.648 0.233 1.251 1.00 65.41 C ATOM 2207 O ASN A 137 -20.794 -0.635 2.112 1.00 70.42 O ATOM 2208 CB ASN A 137 -21.970 -1.201 -0.245 1.00 74.52 C ATOM 2209 CG ASN A 137 -22.755 -1.288 -1.546 1.00 13.34 C ATOM 2210 OD1 ASN A 137 -23.873 -0.778 -1.633 1.00 22.05 O ATOM 2211 ND2 ASN A 137 -22.238 -1.906 -2.567 1.00 54.24 N ATOM 0 H ASN A 137 -21.088 1.394 -1.719 1.00 22.44 H new ATOM 0 HA ASN A 137 -22.305 0.908 0.080 1.00 43.04 H new ATOM 0 HB2 ASN A 137 -21.126 -1.890 -0.274 1.00 74.52 H new ATOM 0 HB3 ASN A 137 -22.601 -1.506 0.590 1.00 74.52 H new ATOM 0 HD21 ASN A 137 -22.758 -1.969 -3.442 1.00 54.24 H new ATOM 0 HD22 ASN A 137 -21.312 -2.328 -2.493 1.00 54.24 H new ATOM 2218 N TYR A 138 -19.792 1.226 1.370 1.00 42.33 N ATOM 2219 CA TYR A 138 -18.946 1.363 2.555 1.00 30.14 C ATOM 2220 C TYR A 138 -19.697 2.096 3.674 1.00 24.33 C ATOM 2221 O TYR A 138 -20.751 2.687 3.440 1.00 2.51 O ATOM 2222 CB TYR A 138 -17.668 2.135 2.189 1.00 0.24 C ATOM 2223 CG TYR A 138 -17.894 3.619 2.385 1.00 13.53 C ATOM 2224 CD1 TYR A 138 -19.064 4.218 1.900 1.00 30.15 C ATOM 2225 CD2 TYR A 138 -16.944 4.388 3.061 1.00 52.31 C ATOM 2226 CE1 TYR A 138 -19.283 5.586 2.095 1.00 15.32 C ATOM 2227 CE2 TYR A 138 -17.162 5.755 3.251 1.00 51.14 C ATOM 2228 CZ TYR A 138 -18.330 6.355 2.771 1.00 1.13 C ATOM 2229 OH TYR A 138 -18.542 7.704 2.967 1.00 0.33 O ATOM 0 H TYR A 138 -19.658 1.953 0.667 1.00 42.33 H new ATOM 0 HA TYR A 138 -18.680 0.368 2.913 1.00 30.14 H new ATOM 0 HB2 TYR A 138 -16.838 1.799 2.810 1.00 0.24 H new ATOM 0 HB3 TYR A 138 -17.393 1.933 1.154 1.00 0.24 H new ATOM 0 HD1 TYR A 138 -19.797 3.623 1.375 1.00 30.15 H new ATOM 0 HD2 TYR A 138 -16.042 3.927 3.436 1.00 52.31 H new ATOM 0 HE1 TYR A 138 -20.186 6.047 1.724 1.00 15.32 H new ATOM 0 HE2 TYR A 138 -16.426 6.350 3.770 1.00 51.14 H new ATOM 0 HH TYR A 138 -17.783 8.087 3.454 1.00 0.33 H new ATOM 2239 N THR A 139 -19.130 2.073 4.883 1.00 50.00 N ATOM 2240 CA THR A 139 -19.738 2.763 6.030 1.00 34.14 C ATOM 2241 C THR A 139 -18.754 3.787 6.604 1.00 42.01 C ATOM 2242 O THR A 139 -17.545 3.665 6.428 1.00 15.42 O ATOM 2243 CB THR A 139 -20.128 1.749 7.124 1.00 60.30 C ATOM 2244 OG1 THR A 139 -19.154 1.765 8.159 1.00 62.35 O ATOM 2245 CG2 THR A 139 -20.216 0.334 6.535 1.00 3.22 C ATOM 0 H THR A 139 -18.258 1.589 5.095 1.00 50.00 H new ATOM 0 HA THR A 139 -20.637 3.276 5.689 1.00 34.14 H new ATOM 0 HB THR A 139 -21.101 2.028 7.527 1.00 60.30 H new ATOM 0 HG1 THR A 139 -19.405 1.121 8.854 1.00 62.35 H new ATOM 0 HG21 THR A 139 -20.492 -0.370 7.320 1.00 3.22 H new ATOM 0 HG22 THR A 139 -20.970 0.314 5.748 1.00 3.22 H new ATOM 0 HG23 THR A 139 -19.249 0.052 6.119 1.00 3.22 H new ATOM 2253 N ASP A 140 -19.272 4.822 7.256 1.00 40.41 N ATOM 2254 CA ASP A 140 -18.405 5.864 7.799 1.00 14.13 C ATOM 2255 C ASP A 140 -17.199 5.274 8.529 1.00 14.22 C ATOM 2256 O ASP A 140 -16.063 5.666 8.267 1.00 11.03 O ATOM 2257 CB ASP A 140 -19.198 6.752 8.760 1.00 54.23 C ATOM 2258 CG ASP A 140 -18.352 7.948 9.184 1.00 51.04 C ATOM 2259 OD1 ASP A 140 -17.349 8.198 8.536 1.00 5.21 O ATOM 2260 OD2 ASP A 140 -18.719 8.596 10.150 1.00 15.14 O ATOM 0 H ASP A 140 -20.269 4.962 7.420 1.00 40.41 H new ATOM 0 HA ASP A 140 -18.037 6.457 6.962 1.00 14.13 H new ATOM 0 HB2 ASP A 140 -20.113 7.096 8.279 1.00 54.23 H new ATOM 0 HB3 ASP A 140 -19.496 6.177 9.637 1.00 54.23 H new ATOM 2265 N GLU A 141 -17.431 4.352 9.456 1.00 33.12 N ATOM 2266 CA GLU A 141 -16.326 3.763 10.208 1.00 72.05 C ATOM 2267 C GLU A 141 -15.270 3.184 9.270 1.00 22.20 C ATOM 2268 O GLU A 141 -14.128 2.961 9.672 1.00 54.41 O ATOM 2269 CB GLU A 141 -16.854 2.659 11.127 1.00 44.22 C ATOM 2270 CG GLU A 141 -15.770 2.270 12.136 1.00 43.34 C ATOM 2271 CD GLU A 141 -16.301 1.199 13.082 1.00 64.11 C ATOM 2272 OE1 GLU A 141 -17.429 0.774 12.893 1.00 33.43 O ATOM 2273 OE2 GLU A 141 -15.572 0.819 13.984 1.00 23.12 O ATOM 0 H GLU A 141 -18.356 4.000 9.703 1.00 33.12 H new ATOM 0 HA GLU A 141 -15.864 4.550 10.804 1.00 72.05 H new ATOM 0 HB2 GLU A 141 -17.746 3.003 11.651 1.00 44.22 H new ATOM 0 HB3 GLU A 141 -17.146 1.790 10.538 1.00 44.22 H new ATOM 0 HG2 GLU A 141 -14.889 1.900 11.612 1.00 43.34 H new ATOM 0 HG3 GLU A 141 -15.458 3.147 12.704 1.00 43.34 H new ATOM 2280 N MET A 142 -15.655 2.931 8.025 1.00 62.22 N ATOM 2281 CA MET A 142 -14.725 2.365 7.053 1.00 23.02 C ATOM 2282 C MET A 142 -13.767 3.424 6.532 1.00 24.22 C ATOM 2283 O MET A 142 -12.735 3.099 5.954 1.00 74.13 O ATOM 2284 CB MET A 142 -15.496 1.757 5.888 1.00 34.54 C ATOM 2285 CG MET A 142 -16.617 0.863 6.430 1.00 74.15 C ATOM 2286 SD MET A 142 -16.903 -0.505 5.283 1.00 71.42 S ATOM 2287 CE MET A 142 -15.296 -1.306 5.499 1.00 54.20 C ATOM 0 H MET A 142 -16.594 3.106 7.666 1.00 62.22 H new ATOM 0 HA MET A 142 -14.144 1.589 7.552 1.00 23.02 H new ATOM 0 HB2 MET A 142 -15.915 2.546 5.264 1.00 34.54 H new ATOM 0 HB3 MET A 142 -14.824 1.175 5.257 1.00 34.54 H new ATOM 0 HG2 MET A 142 -16.346 0.477 7.413 1.00 74.15 H new ATOM 0 HG3 MET A 142 -17.531 1.443 6.556 1.00 74.15 H new ATOM 0 HE1 MET A 142 -14.685 -1.141 4.612 1.00 54.20 H new ATOM 0 HE2 MET A 142 -14.793 -0.884 6.369 1.00 54.20 H new ATOM 0 HE3 MET A 142 -15.440 -2.376 5.646 1.00 54.20 H new ATOM 2297 N VAL A 143 -14.104 4.685 6.769 1.00 34.03 N ATOM 2298 CA VAL A 143 -13.244 5.802 6.348 1.00 3.01 C ATOM 2299 C VAL A 143 -12.914 6.683 7.548 1.00 24.33 C ATOM 2300 O VAL A 143 -13.807 7.107 8.280 1.00 31.23 O ATOM 2301 CB VAL A 143 -13.918 6.644 5.248 1.00 62.14 C ATOM 2302 CG1 VAL A 143 -15.132 7.400 5.808 1.00 51.21 C ATOM 2303 CG2 VAL A 143 -12.904 7.654 4.683 1.00 74.23 C ATOM 0 H VAL A 143 -14.960 4.967 7.247 1.00 34.03 H new ATOM 0 HA VAL A 143 -12.324 5.385 5.938 1.00 3.01 H new ATOM 0 HB VAL A 143 -14.258 5.975 4.457 1.00 62.14 H new ATOM 0 HG11 VAL A 143 -15.592 7.988 5.014 1.00 51.21 H new ATOM 0 HG12 VAL A 143 -15.857 6.686 6.198 1.00 51.21 H new ATOM 0 HG13 VAL A 143 -14.809 8.064 6.610 1.00 51.21 H new ATOM 0 HG21 VAL A 143 -13.380 8.250 3.904 1.00 74.23 H new ATOM 0 HG22 VAL A 143 -12.559 8.310 5.483 1.00 74.23 H new ATOM 0 HG23 VAL A 143 -12.054 7.118 4.261 1.00 74.23 H new ATOM 2313 N ALA A 144 -11.622 6.923 7.772 1.00 50.10 N ATOM 2314 CA ALA A 144 -11.200 7.732 8.918 1.00 61.10 C ATOM 2315 C ALA A 144 -10.529 9.040 8.491 1.00 63.34 C ATOM 2316 O ALA A 144 -9.469 9.026 7.857 1.00 73.51 O ATOM 2317 CB ALA A 144 -10.221 6.927 9.775 1.00 1.35 C ATOM 0 H ALA A 144 -10.861 6.577 7.188 1.00 50.10 H new ATOM 0 HA ALA A 144 -12.095 7.986 9.486 1.00 61.10 H new ATOM 0 HB1 ALA A 144 -9.906 7.527 10.628 1.00 1.35 H new ATOM 0 HB2 ALA A 144 -10.709 6.020 10.130 1.00 1.35 H new ATOM 0 HB3 ALA A 144 -9.349 6.660 9.178 1.00 1.35 H new ATOM 2323 N MET A 145 -11.156 10.166 8.859 1.00 5.25 N ATOM 2324 CA MET A 145 -10.651 11.469 8.560 1.00 54.31 C ATOM 2325 C MET A 145 -9.593 11.807 9.615 1.00 61.24 C ATOM 2326 O MET A 145 -9.714 11.386 10.765 1.00 14.51 O ATOM 2327 CB MET A 145 -11.862 12.415 8.600 1.00 10.52 C ATOM 2328 CG MET A 145 -11.435 13.846 8.902 1.00 52.54 C ATOM 2329 SD MET A 145 -12.127 14.977 7.663 1.00 52.11 S ATOM 2330 CE MET A 145 -11.347 14.238 6.203 1.00 14.23 C ATOM 0 H MET A 145 -12.035 10.174 9.377 1.00 5.25 H new ATOM 0 HA MET A 145 -10.175 11.549 7.583 1.00 54.31 H new ATOM 0 HB2 MET A 145 -12.383 12.383 7.643 1.00 10.52 H new ATOM 0 HB3 MET A 145 -12.567 12.075 9.359 1.00 10.52 H new ATOM 0 HG2 MET A 145 -11.774 14.133 9.897 1.00 52.54 H new ATOM 0 HG3 MET A 145 -10.347 13.917 8.903 1.00 52.54 H new ATOM 0 HE1 MET A 145 -11.195 15.005 5.444 1.00 14.23 H new ATOM 0 HE2 MET A 145 -10.385 13.809 6.483 1.00 14.23 H new ATOM 0 HE3 MET A 145 -11.991 13.455 5.803 1.00 14.23 H new ATOM 2340 N LEU A 146 -8.526 12.512 9.215 1.00 73.10 N ATOM 2341 CA LEU A 146 -7.444 12.822 10.126 1.00 72.43 C ATOM 2342 C LEU A 146 -7.177 14.342 10.251 1.00 21.12 C ATOM 2343 O LEU A 146 -7.182 15.059 9.252 1.00 51.00 O ATOM 2344 CB LEU A 146 -6.213 12.080 9.581 1.00 14.35 C ATOM 2345 CG LEU A 146 -5.423 11.448 10.710 1.00 51.13 C ATOM 2346 CD1 LEU A 146 -6.301 10.520 11.574 1.00 53.34 C ATOM 2347 CD2 LEU A 146 -4.280 10.630 10.132 1.00 65.41 C ATOM 0 H LEU A 146 -8.400 12.872 8.269 1.00 73.10 H new ATOM 0 HA LEU A 146 -7.697 12.503 11.137 1.00 72.43 H new ATOM 0 HB2 LEU A 146 -6.529 11.310 8.877 1.00 14.35 H new ATOM 0 HB3 LEU A 146 -5.578 12.774 9.031 1.00 14.35 H new ATOM 0 HG LEU A 146 -5.046 12.254 11.340 1.00 51.13 H new ATOM 0 HD11 LEU A 146 -5.697 10.087 12.372 1.00 53.34 H new ATOM 0 HD12 LEU A 146 -7.119 11.094 12.009 1.00 53.34 H new ATOM 0 HD13 LEU A 146 -6.708 9.722 10.953 1.00 53.34 H new ATOM 0 HD21 LEU A 146 -3.711 10.175 10.943 1.00 65.41 H new ATOM 0 HD22 LEU A 146 -4.682 9.848 9.488 1.00 65.41 H new ATOM 0 HD23 LEU A 146 -3.626 11.279 9.550 1.00 65.41 H new ATOM 2359 N PRO A 147 -6.936 14.836 11.463 1.00 43.31 N ATOM 2360 CA PRO A 147 -6.650 16.293 11.723 1.00 22.33 C ATOM 2361 C PRO A 147 -5.228 16.713 11.327 1.00 64.42 C ATOM 2362 O PRO A 147 -4.369 15.873 11.072 1.00 52.10 O ATOM 2363 CB PRO A 147 -6.834 16.408 13.238 1.00 61.44 C ATOM 2364 CG PRO A 147 -6.408 15.078 13.750 1.00 55.51 C ATOM 2365 CD PRO A 147 -6.916 14.071 12.729 1.00 41.15 C ATOM 0 HA PRO A 147 -7.298 16.943 11.135 1.00 22.33 H new ATOM 0 HB2 PRO A 147 -6.226 17.211 13.655 1.00 61.44 H new ATOM 0 HB3 PRO A 147 -7.870 16.624 13.500 1.00 61.44 H new ATOM 0 HG2 PRO A 147 -5.324 15.024 13.849 1.00 55.51 H new ATOM 0 HG3 PRO A 147 -6.829 14.884 14.737 1.00 55.51 H new ATOM 0 HD2 PRO A 147 -6.260 13.203 12.662 1.00 41.15 H new ATOM 0 HD3 PRO A 147 -7.908 13.702 12.990 1.00 41.15 H new ATOM 2373 N ARG A 148 -5.008 18.030 11.269 1.00 24.45 N ATOM 2374 CA ARG A 148 -3.708 18.596 10.883 1.00 40.13 C ATOM 2375 C ARG A 148 -2.607 18.361 11.914 1.00 1.43 C ATOM 2376 O ARG A 148 -1.434 18.583 11.612 1.00 11.51 O ATOM 2377 CB ARG A 148 -3.857 20.100 10.648 1.00 12.42 C ATOM 2378 CG ARG A 148 -4.715 20.342 9.406 1.00 5.50 C ATOM 2379 CD ARG A 148 -5.139 21.812 9.358 1.00 73.34 C ATOM 2380 NE ARG A 148 -4.044 22.666 9.805 1.00 41.10 N ATOM 2381 CZ ARG A 148 -3.034 22.970 8.997 1.00 22.24 C ATOM 2382 NH1 ARG A 148 -3.010 22.502 7.780 1.00 43.03 N ATOM 2383 NH2 ARG A 148 -2.066 23.736 9.422 1.00 2.03 N ATOM 0 H ARG A 148 -5.718 18.730 11.486 1.00 24.45 H new ATOM 0 HA ARG A 148 -3.405 18.080 9.972 1.00 40.13 H new ATOM 0 HB2 ARG A 148 -4.317 20.570 11.517 1.00 12.42 H new ATOM 0 HB3 ARG A 148 -2.876 20.557 10.520 1.00 12.42 H new ATOM 0 HG2 ARG A 148 -4.154 20.085 8.508 1.00 5.50 H new ATOM 0 HG3 ARG A 148 -5.595 19.699 9.428 1.00 5.50 H new ATOM 0 HD2 ARG A 148 -5.429 22.082 8.342 1.00 73.34 H new ATOM 0 HD3 ARG A 148 -6.013 21.967 9.991 1.00 73.34 H new ATOM 0 HE ARG A 148 -4.054 23.037 10.755 1.00 41.10 H new ATOM 0 HH11 ARG A 148 -3.766 21.903 7.449 1.00 43.03 H new ATOM 0 HH12 ARG A 148 -2.235 22.735 7.159 1.00 43.03 H new ATOM 0 HH21 ARG A 148 -2.085 24.101 10.374 1.00 2.03 H new ATOM 0 HH22 ARG A 148 -1.291 23.969 8.802 1.00 2.03 H new ATOM 2397 N GLN A 149 -2.958 17.923 13.119 1.00 52.04 N ATOM 2398 CA GLN A 149 -1.937 17.683 14.144 1.00 51.24 C ATOM 2399 C GLN A 149 -0.695 17.049 13.509 1.00 22.35 C ATOM 2400 O GLN A 149 -0.801 16.069 12.776 1.00 42.24 O ATOM 2401 CB GLN A 149 -2.490 16.769 15.240 1.00 64.14 C ATOM 2402 CG GLN A 149 -3.748 17.396 15.843 1.00 54.21 C ATOM 2403 CD GLN A 149 -3.371 18.604 16.695 1.00 0.01 C ATOM 2404 OE1 GLN A 149 -3.268 19.718 16.182 1.00 53.34 O ATOM 2405 NE2 GLN A 149 -3.159 18.449 17.973 1.00 65.01 N ATOM 0 H GLN A 149 -3.916 17.730 13.410 1.00 52.04 H new ATOM 0 HA GLN A 149 -1.659 18.637 14.591 1.00 51.24 H new ATOM 0 HB2 GLN A 149 -2.723 15.788 14.826 1.00 64.14 H new ATOM 0 HB3 GLN A 149 -1.739 16.618 16.015 1.00 64.14 H new ATOM 0 HG2 GLN A 149 -4.430 17.699 15.049 1.00 54.21 H new ATOM 0 HG3 GLN A 149 -4.275 16.661 16.452 1.00 54.21 H new ATOM 0 HE21 GLN A 149 -3.245 17.525 18.396 1.00 65.01 H new ATOM 0 HE22 GLN A 149 -2.907 19.252 18.549 1.00 65.01 H new ATOM 2414 N GLU A 150 0.477 17.633 13.761 1.00 14.32 N ATOM 2415 CA GLU A 150 1.720 17.123 13.172 1.00 22.54 C ATOM 2416 C GLU A 150 2.793 16.894 14.231 1.00 35.50 C ATOM 2417 O GLU A 150 2.992 17.720 15.122 1.00 24.24 O ATOM 2418 CB GLU A 150 2.242 18.123 12.137 1.00 54.11 C ATOM 2419 CG GLU A 150 2.631 19.428 12.836 1.00 42.13 C ATOM 2420 CD GLU A 150 2.903 20.512 11.798 1.00 70.14 C ATOM 2421 OE1 GLU A 150 2.880 20.197 10.620 1.00 41.35 O ATOM 2422 OE2 GLU A 150 3.130 21.642 12.198 1.00 23.40 O ATOM 0 H GLU A 150 0.594 18.450 14.361 1.00 14.32 H new ATOM 0 HA GLU A 150 1.498 16.166 12.700 1.00 22.54 H new ATOM 0 HB2 GLU A 150 3.104 17.706 11.616 1.00 54.11 H new ATOM 0 HB3 GLU A 150 1.477 18.315 11.384 1.00 54.11 H new ATOM 0 HG2 GLU A 150 1.831 19.745 13.505 1.00 42.13 H new ATOM 0 HG3 GLU A 150 3.517 19.271 13.451 1.00 42.13 H new ATOM 2429 N GLU A 151 3.500 15.770 14.105 1.00 13.22 N ATOM 2430 CA GLU A 151 4.579 15.429 15.028 1.00 5.20 C ATOM 2431 C GLU A 151 5.875 15.273 14.240 1.00 62.25 C ATOM 2432 O GLU A 151 6.965 15.555 14.740 1.00 35.11 O ATOM 2433 CB GLU A 151 4.249 14.121 15.759 1.00 73.21 C ATOM 2434 CG GLU A 151 5.090 14.006 17.035 1.00 32.44 C ATOM 2435 CD GLU A 151 6.565 13.854 16.679 1.00 42.03 C ATOM 2436 OE1 GLU A 151 6.874 12.983 15.883 1.00 21.23 O ATOM 2437 OE2 GLU A 151 7.363 14.612 17.206 1.00 62.45 O ATOM 0 H GLU A 151 3.343 15.080 13.370 1.00 13.22 H new ATOM 0 HA GLU A 151 4.693 16.222 15.767 1.00 5.20 H new ATOM 0 HB2 GLU A 151 3.188 14.092 16.009 1.00 73.21 H new ATOM 0 HB3 GLU A 151 4.446 13.271 15.106 1.00 73.21 H new ATOM 0 HG2 GLU A 151 4.947 14.891 17.655 1.00 32.44 H new ATOM 0 HG3 GLU A 151 4.759 13.149 17.622 1.00 32.44 H new ATOM 2444 N CYS A 152 5.736 14.826 12.993 1.00 3.20 N ATOM 2445 CA CYS A 152 6.882 14.632 12.107 1.00 62.35 C ATOM 2446 C CYS A 152 6.542 15.106 10.697 1.00 44.42 C ATOM 2447 O CYS A 152 5.372 15.265 10.352 1.00 52.44 O ATOM 2448 CB CYS A 152 7.267 13.153 12.068 1.00 21.15 C ATOM 2449 SG CYS A 152 8.216 12.733 13.549 1.00 44.34 S ATOM 0 H CYS A 152 4.837 14.591 12.572 1.00 3.20 H new ATOM 0 HA CYS A 152 7.721 15.214 12.488 1.00 62.35 H new ATOM 0 HB2 CYS A 152 6.371 12.535 12.011 1.00 21.15 H new ATOM 0 HB3 CYS A 152 7.856 12.944 11.175 1.00 21.15 H new ATOM 2454 N THR A 153 7.571 15.330 9.886 1.00 64.12 N ATOM 2455 CA THR A 153 7.374 15.788 8.512 1.00 72.34 C ATOM 2456 C THR A 153 8.553 15.364 7.637 1.00 62.12 C ATOM 2457 O THR A 153 9.629 15.050 8.146 1.00 12.01 O ATOM 2458 CB THR A 153 7.230 17.313 8.484 1.00 53.15 C ATOM 2459 OG1 THR A 153 8.355 17.904 9.119 1.00 44.01 O ATOM 2460 CG2 THR A 153 5.951 17.726 9.218 1.00 12.22 C ATOM 0 H THR A 153 8.547 15.203 10.154 1.00 64.12 H new ATOM 0 HA THR A 153 6.463 15.334 8.121 1.00 72.34 H new ATOM 0 HB THR A 153 7.174 17.652 7.450 1.00 53.15 H new ATOM 0 HG1 THR A 153 8.266 18.880 9.101 1.00 44.01 H new ATOM 0 HG21 THR A 153 5.853 18.811 9.195 1.00 12.22 H new ATOM 0 HG22 THR A 153 5.088 17.273 8.729 1.00 12.22 H new ATOM 0 HG23 THR A 153 6.000 17.388 10.253 1.00 12.22 H new ATOM 2468 N VAL A 154 8.351 15.365 6.321 1.00 51.52 N ATOM 2469 CA VAL A 154 9.396 14.992 5.399 1.00 60.43 C ATOM 2470 C VAL A 154 10.474 16.058 5.382 1.00 12.12 C ATOM 2471 O VAL A 154 10.248 17.198 5.784 1.00 35.22 O ATOM 2472 CB VAL A 154 8.828 14.844 3.985 1.00 1.14 C ATOM 2473 CG1 VAL A 154 7.573 13.963 3.995 1.00 44.43 C ATOM 2474 CG2 VAL A 154 8.490 16.231 3.420 1.00 71.22 C ATOM 0 H VAL A 154 7.468 15.622 5.879 1.00 51.52 H new ATOM 0 HA VAL A 154 9.818 14.041 5.724 1.00 60.43 H new ATOM 0 HB VAL A 154 9.577 14.366 3.354 1.00 1.14 H new ATOM 0 HG11 VAL A 154 7.185 13.871 2.981 1.00 44.43 H new ATOM 0 HG12 VAL A 154 7.826 12.974 4.378 1.00 44.43 H new ATOM 0 HG13 VAL A 154 6.815 14.417 4.633 1.00 44.43 H new ATOM 0 HG21 VAL A 154 8.086 16.125 2.413 1.00 71.22 H new ATOM 0 HG22 VAL A 154 7.751 16.714 4.059 1.00 71.22 H new ATOM 0 HG23 VAL A 154 9.393 16.840 3.386 1.00 71.22 H new ATOM 2484 N ASP A 155 11.636 15.682 4.892 1.00 24.30 N ATOM 2485 CA ASP A 155 12.742 16.619 4.796 1.00 21.03 C ATOM 2486 C ASP A 155 12.545 17.543 3.613 1.00 14.50 C ATOM 2487 O ASP A 155 11.718 17.301 2.732 1.00 4.23 O ATOM 2488 CB ASP A 155 14.078 15.896 4.650 1.00 61.34 C ATOM 2489 CG ASP A 155 15.198 16.898 4.383 1.00 71.00 C ATOM 2490 OD1 ASP A 155 15.274 17.878 5.103 1.00 62.01 O ATOM 2491 OD2 ASP A 155 15.962 16.668 3.460 1.00 31.41 O ATOM 0 H ASP A 155 11.842 14.741 4.555 1.00 24.30 H new ATOM 0 HA ASP A 155 12.760 17.198 5.719 1.00 21.03 H new ATOM 0 HB2 ASP A 155 14.295 15.332 5.557 1.00 61.34 H new ATOM 0 HB3 ASP A 155 14.022 15.177 3.833 1.00 61.34 H new ATOM 2496 N GLU A 156 13.321 18.600 3.616 1.00 2.41 N ATOM 2497 CA GLU A 156 13.271 19.602 2.555 1.00 53.24 C ATOM 2498 C GLU A 156 14.198 19.211 1.407 1.00 51.24 C ATOM 2499 O GLU A 156 13.852 19.369 0.236 1.00 33.03 O ATOM 2500 CB GLU A 156 13.680 20.970 3.111 1.00 2.32 C ATOM 2501 CG GLU A 156 14.840 20.799 4.092 1.00 20.22 C ATOM 2502 CD GLU A 156 15.411 22.161 4.468 1.00 12.41 C ATOM 2503 OE1 GLU A 156 14.976 23.143 3.890 1.00 74.02 O ATOM 2504 OE2 GLU A 156 16.276 22.202 5.328 1.00 14.01 O ATOM 0 H GLU A 156 14.005 18.798 4.346 1.00 2.41 H new ATOM 0 HA GLU A 156 12.251 19.658 2.176 1.00 53.24 H new ATOM 0 HB2 GLU A 156 13.974 21.632 2.296 1.00 2.32 H new ATOM 0 HB3 GLU A 156 12.833 21.438 3.612 1.00 2.32 H new ATOM 0 HG2 GLU A 156 14.497 20.280 4.987 1.00 20.22 H new ATOM 0 HG3 GLU A 156 15.618 20.181 3.644 1.00 20.22 H new ATOM 2511 N VAL A 157 15.378 18.702 1.748 1.00 61.44 N ATOM 2512 CA VAL A 157 16.345 18.294 0.736 1.00 35.44 C ATOM 2513 C VAL A 157 17.361 17.319 1.324 1.00 20.22 C ATOM 2514 O VAL A 157 17.868 17.598 2.398 1.00 63.22 O ATOM 2515 CB VAL A 157 17.071 19.522 0.181 1.00 74.44 C ATOM 2516 CG1 VAL A 157 17.990 20.107 1.256 1.00 13.45 C ATOM 2517 CG2 VAL A 157 17.907 19.112 -1.035 1.00 24.25 C ATOM 2518 OXT VAL A 157 17.617 16.307 0.692 1.00 63.22 O ATOM 0 H VAL A 157 15.686 18.563 2.711 1.00 61.44 H new ATOM 0 HA VAL A 157 15.808 17.795 -0.071 1.00 35.44 H new ATOM 0 HB VAL A 157 16.338 20.272 -0.115 1.00 74.44 H new ATOM 0 HG11 VAL A 157 18.505 20.981 0.858 1.00 13.45 H new ATOM 0 HG12 VAL A 157 17.397 20.399 2.122 1.00 13.45 H new ATOM 0 HG13 VAL A 157 18.724 19.358 1.555 1.00 13.45 H new ATOM 0 HG21 VAL A 157 18.425 19.985 -1.432 1.00 24.25 H new ATOM 0 HG22 VAL A 157 18.638 18.361 -0.737 1.00 24.25 H new ATOM 0 HG23 VAL A 157 17.254 18.698 -1.803 1.00 24.25 H new TER 2528 VAL A 157 HETATM 2529 O6 EB4 A 200 1.736 3.319 3.377 1.00 20.00 O HETATM 2530 O4 EB4 A 200 0.641 1.590 2.419 1.00 20.00 O HETATM 2531 O5 EB4 A 200 2.977 1.595 2.718 1.00 20.00 O HETATM 2532 N1 EB4 A 200 -0.460 -1.833 5.698 1.00 20.00 N HETATM 2533 C5 EB4 A 200 4.011 0.741 2.950 1.00 20.00 C HETATM 2534 C4 EB4 A 200 -0.289 0.600 2.341 1.00 20.00 C HETATM 2535 C1 EB4 A 200 -0.347 -0.217 3.464 1.00 20.00 C HETATM 2536 C2 EB4 A 200 4.079 0.236 4.243 1.00 20.00 C HETATM 2537 C6 EB4 A 200 1.189 4.104 4.343 1.00 20.00 C HETATM 2538 C8 EB4 A 200 4.959 0.362 2.007 1.00 20.00 C HETATM 2539 N2 EB4 A 200 4.100 -0.902 6.662 1.00 20.00 N HETATM 2540 C9 EB4 A 200 0.796 5.426 4.166 1.00 20.00 C HETATM 2541 C10 EB4 A 200 -2.049 -0.691 1.317 1.00 20.00 C HETATM 2542 O3 EB4 A 200 1.406 2.183 5.624 1.00 20.00 O HETATM 2543 N3 EB4 A 200 0.592 2.247 8.022 1.00 20.00 N HETATM 2544 C16 EB4 A 200 -1.255 -1.269 3.514 1.00 20.00 C HETATM 2545 C7 EB4 A 200 -1.141 0.361 1.268 1.00 20.00 C HETATM 2546 C3 EB4 A 200 1.037 3.491 5.582 1.00 20.00 C HETATM 2547 C11 EB4 A 200 5.974 -0.520 2.358 1.00 20.00 C HETATM 2548 O1 EB4 A 200 0.534 0.113 4.447 1.00 20.00 O HETATM 2549 O2 EB4 A 200 3.105 0.668 5.089 1.00 20.00 O HETATM 2550 C12 EB4 A 200 0.281 6.144 5.240 1.00 20.00 C HETATM 2551 C15 EB4 A 200 0.159 5.541 6.486 1.00 20.00 C HETATM 2552 C14 EB4 A 200 6.041 -1.024 3.651 1.00 20.00 C HETATM 2553 C13 EB4 A 200 -2.106 -1.506 2.441 1.00 20.00 C HETATM 2554 O7 EB4 A 200 -2.115 -3.080 4.776 1.00 20.00 O HETATM 2555 C19 EB4 A 200 -1.319 -2.145 4.718 1.00 20.00 C HETATM 2556 C22 EB4 A 200 -0.399 -2.603 6.948 1.00 20.00 C HETATM 2557 C25 EB4 A 200 -0.702 -1.711 8.142 1.00 20.00 C HETATM 2558 O10 EB4 A 200 -1.277 -2.165 9.130 1.00 20.00 O HETATM 2559 O15 EB4 A 200 -0.302 -0.416 8.035 1.00 20.00 O HETATM 2560 C30 EB4 A 200 -0.604 0.439 9.149 1.00 20.00 C HETATM 2561 C24 EB4 A 200 0.496 1.480 9.272 1.00 20.00 C HETATM 2562 C21 EB4 A 200 0.406 3.574 7.999 1.00 20.00 C HETATM 2563 C18 EB4 A 200 0.538 4.214 6.659 1.00 20.00 C HETATM 2564 O9 EB4 A 200 0.143 4.245 8.994 1.00 20.00 O HETATM 2565 C27 EB4 A 200 1.791 0.706 9.661 1.00 20.00 C HETATM 2566 O12 EB4 A 200 1.958 0.276 10.801 1.00 20.00 O HETATM 2567 C28 EB4 A 200 0.930 -3.336 7.058 1.00 20.00 C HETATM 2568 O13 EB4 A 200 2.071 -2.463 7.027 1.00 20.00 O HETATM 2569 C26 EB4 A 200 2.764 -2.270 8.183 1.00 20.00 C HETATM 2570 O11 EB4 A 200 2.455 -2.770 9.263 1.00 20.00 O HETATM 2571 C23 EB4 A 200 3.990 -1.363 8.053 1.00 20.00 C HETATM 2572 C29 EB4 A 200 3.872 -0.175 8.995 1.00 20.00 C HETATM 2573 O14 EB4 A 200 2.690 0.558 8.652 1.00 20.00 O HETATM 2574 C20 EB4 A 200 5.164 -1.154 5.888 1.00 20.00 C HETATM 2575 O8 EB4 A 200 6.150 -1.785 6.264 1.00 20.00 O HETATM 2576 C17 EB4 A 200 5.093 -0.646 4.595 1.00 20.00 C HETATM 0 H30A EB4 A 200 -1.569 0.924 9.003 1.00 20.00 H new HETATM 0 H29A EB4 A 200 3.821 -0.515 10.029 1.00 20.00 H new HETATM 0 H28A EB4 A 200 0.945 -3.907 7.986 1.00 20.00 H new HETATM 0 HN3 EB4 A 200 0.805 1.758 7.152 1.00 20.00 H new HETATM 0 HN2 EB4 A 200 3.329 -0.364 6.267 1.00 20.00 H new HETATM 0 HN1 EB4 A 200 0.169 -1.039 5.573 1.00 20.00 H new HETATM 0 H9 EB4 A 200 0.891 5.898 3.188 1.00 20.00 H new HETATM 0 H8 EB4 A 200 4.906 0.756 0.992 1.00 20.00 H new HETATM 0 H7 EB4 A 200 -1.097 1.000 0.386 1.00 20.00 H new HETATM 0 H30 EB4 A 200 -0.676 -0.146 10.066 1.00 20.00 H new HETATM 0 H29 EB4 A 200 4.752 0.463 8.912 1.00 20.00 H new HETATM 0 H28 EB4 A 200 1.009 -4.053 6.241 1.00 20.00 H new HETATM 0 H24 EB4 A 200 0.301 2.226 10.043 1.00 20.00 H new HETATM 0 H23 EB4 A 200 4.886 -1.923 8.323 1.00 20.00 H new HETATM 0 H22 EB4 A 200 -1.172 -3.371 6.940 1.00 20.00 H new HETATM 0 H15 EB4 A 200 -0.234 6.109 7.329 1.00 20.00 H new HETATM 0 H14 EB4 A 200 6.837 -1.716 3.925 1.00 20.00 H new HETATM 0 H13 EB4 A 200 -2.818 -2.331 2.481 1.00 20.00 H new HETATM 0 H12 EB4 A 200 -0.027 7.181 5.104 1.00 20.00 H new HETATM 0 H11 EB4 A 200 6.718 -0.817 1.619 1.00 20.00 H new HETATM 0 H10 EB4 A 200 -2.715 -0.876 0.475 1.00 20.00 H new HETATM 2598 GA GA A 201 1.716 1.520 4.021 1.00 20.00 GA HETATM 2599 C1 ACD A 300 -1.720 9.443 -10.553 1.00 20.00 C HETATM 2600 C2 ACD A 300 -0.231 9.385 -10.903 1.00 20.00 C HETATM 2601 C3 ACD A 300 0.498 8.467 -9.920 1.00 20.00 C HETATM 2602 C4 ACD A 300 0.310 8.988 -8.493 1.00 20.00 C HETATM 2603 C5 ACD A 300 1.097 8.111 -7.517 1.00 20.00 C HETATM 2604 C6 ACD A 300 0.523 7.788 -6.137 1.00 20.00 C HETATM 2605 C7 ACD A 300 -0.844 8.339 -5.728 1.00 20.00 C HETATM 2606 C8 ACD A 300 -0.811 8.801 -4.270 1.00 20.00 C HETATM 2607 C9 ACD A 300 -0.917 7.788 -3.128 1.00 20.00 C HETATM 2608 C10 ACD A 300 -1.058 6.294 -3.424 1.00 20.00 C HETATM 2609 C11 ACD A 300 -1.786 5.622 -2.260 1.00 20.00 C HETATM 2610 C12 ACD A 300 -1.045 5.365 -0.945 1.00 20.00 C HETATM 2611 C13 ACD A 300 0.420 5.787 -0.813 1.00 20.00 C HETATM 2612 C14 ACD A 300 0.657 6.155 0.654 1.00 20.00 C HETATM 2613 C15 ACD A 300 0.740 7.619 1.091 1.00 20.00 C HETATM 2614 C16 ACD A 300 0.585 8.750 0.071 1.00 20.00 C HETATM 2615 C17 ACD A 300 1.701 8.682 -0.973 1.00 20.00 C HETATM 2616 C18 ACD A 300 1.434 9.716 -2.068 1.00 20.00 C HETATM 2617 C19 ACD A 300 2.349 9.425 -3.258 1.00 20.00 C HETATM 2618 C20 ACD A 300 1.977 10.328 -4.437 1.00 20.00 C HETATM 2619 O1 ACD A 300 -2.336 10.488 -10.857 1.00 20.00 O HETATM 2620 O2 ACD A 300 -2.207 8.442 -9.989 1.00 20.00 O HETATM 0 H203 ACD A 300 0.943 10.141 -4.726 1.00 20.00 H new HETATM 0 H202 ACD A 300 2.089 11.372 -4.145 1.00 20.00 H new HETATM 0 H201 ACD A 300 2.634 10.114 -5.280 1.00 20.00 H new HETATM 0 H192 ACD A 300 3.389 9.590 -2.977 1.00 20.00 H new HETATM 0 H191 ACD A 300 2.260 8.378 -3.549 1.00 20.00 H new HETATM 0 H182 ACD A 300 0.390 9.676 -2.377 1.00 20.00 H new HETATM 0 H181 ACD A 300 1.616 10.722 -1.689 1.00 20.00 H new HETATM 0 H172 ACD A 300 2.666 8.874 -0.503 1.00 20.00 H new HETATM 0 H171 ACD A 300 1.750 7.682 -1.405 1.00 20.00 H new HETATM 0 H162 ACD A 300 -0.386 8.676 -0.419 1.00 20.00 H new HETATM 0 H161 ACD A 300 0.612 9.714 0.580 1.00 20.00 H new HETATM 0 H132 ACD A 300 1.082 4.977 -1.118 1.00 20.00 H new HETATM 0 H131 ACD A 300 0.635 6.636 -1.462 1.00 20.00 H new HETATM 0 H102 ACD A 300 -1.612 6.145 -4.351 1.00 20.00 H new HETATM 0 H101 ACD A 300 -0.075 5.844 -3.564 1.00 20.00 H new HETATM 0 HO2 ACD A 300 -2.704 8.725 -9.193 1.00 20.00 H new HETATM 0 H9 ACD A 300 -0.892 8.134 -2.095 1.00 20.00 H new HETATM 0 H8 ACD A 300 -0.711 9.862 -4.042 1.00 20.00 H new HETATM 0 H72 ACD A 300 -1.117 9.172 -6.375 1.00 20.00 H new HETATM 0 H71 ACD A 300 -1.607 7.572 -5.857 1.00 20.00 H new HETATM 0 H6 ACD A 300 1.088 7.165 -5.444 1.00 20.00 H new HETATM 0 H5 ACD A 300 2.070 7.715 -7.806 1.00 20.00 H new HETATM 0 H42 ACD A 300 0.651 10.021 -8.425 1.00 20.00 H new HETATM 0 H41 ACD A 300 -0.748 8.983 -8.230 1.00 20.00 H new HETATM 0 H32 ACD A 300 0.111 7.451 -10.001 1.00 20.00 H new HETATM 0 H31 ACD A 300 1.559 8.425 -10.165 1.00 20.00 H new HETATM 0 H22 ACD A 300 -0.102 9.018 -11.921 1.00 20.00 H new HETATM 0 H21 ACD A 300 0.199 10.386 -10.867 1.00 20.00 H new HETATM 0 H15 ACD A 300 0.911 7.859 2.140 1.00 20.00 H new HETATM 0 H14 ACD A 300 0.768 5.364 1.396 1.00 20.00 H new HETATM 0 H12 ACD A 300 -1.556 4.886 -0.110 1.00 20.00 H new HETATM 0 H11 ACD A 300 -2.830 5.327 -2.366 1.00 20.00 H new